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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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897225
 
#1

eMolecules: 539394
AK Scientific: 6273AA
Anward: ANW-72013
Apollo Scientific: PC0903
Ark Pharm Building Blocks: AK-58361...77 total

ref: mol2, SDF, SMILES, flexibase
0.16,-4.56,-19.92,4,7,0, 331.297, 2
3872583
 
#2

Mcule: MCULE-2724365464
Tractus: TRA0060701
BindingDB.org: 91406
ChEMBL12: CHEMBL1716015, CHEMBL1475698
ChEMBL19: CHEMBL1475698...13 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.56,-8.95,2,4,0, 376.468, 1

Similar to: 3977973, 3977974, 3977975, 4213048, 5752187, ... 21 in total.
3872584
 
#3

Aldrich CPR: R200166|ALDRICH
Mcule: MCULE-2724365464
TimTec: ST50411362
Tractus: TRA0060701
BindingDB.org: 91406...13 total

ref: mol2, SDF, SMILES, flexibase
2.38,0.33,-8.58,2,4,0, 376.468, 1

Similar to: 3977973, 3977974, 3977975, 4213048, 5752187, ... 21 in total.
3872585
 
#4

Mcule: MCULE-2724365464
Tractus: TRA0060701
BindingDB.org: 91406
ChEMBL12: CHEMBL1716015
ChEMBL19: CHEMBL1716015...9 total

ref: mol2, SDF, SMILES, flexibase
2.38,0.55,-10.12,2,4,0, 376.468, 1

Similar to: 3977973, 3977974, 3977975, 4213048, 5752187, ... 21 in total.
3872586
 
#5

Aldrich CPR: R200166|ALDRICH
Mcule: MCULE-2724365464
TimTec: ST50411362
Tractus: TRA0060701
BindingDB.org: 91406...13 total

ref: mol2, SDF, SMILES, flexibase
2.38,0.45,-10.81,2,4,0, 376.468, 1

Similar to: 3977973, 3977974, 3977975, 4213048, 5752187, ... 21 in total.
3871509
 
#6

ChemDB: 3965397
Collaborative Drug Discovery: 1420195
NIH Clinical Collection via PubChem: SAM002699903
PubChem: 2133
ref: mol2, SDF, SMILES, flexibase
3.92,0.28,-14.91,1,7,0, 502.579, 4

Similar to: 3977775, 3977776, 3977777, 3977778, 11616257, ... 21 in total.
3871510
 
#7

ChemDB: 3965397
Collaborative Drug Discovery: 1420195
NIH Clinical Collection via PubChem: SAM002699903
PubChem: 2133, 24867301
ref: mol2, SDF, SMILES, flexibase
3.92,9.96,-14.18,1,7,0, 502.579, 4

Similar to: 3977775, 3977776, 3977777, 3977778, 11616257, ... 16 in total.
3871511
 
#8

ChemDB: 3965397
Collaborative Drug Discovery: 1420195
NIH Clinical Collection via PubChem: SAM002699903
PubChem: 2133
ref: mol2, SDF, SMILES, flexibase
3.92,0.77,-15.61,1,7,0, 502.579, 4

Similar to: 3977775, 3977776, 3977777, 3977778, 11616257, ... 20 in total.
3871512
 
#9

ChemDB: 3965397
Collaborative Drug Discovery: 1420195
NIH Clinical Collection via PubChem: SAM002699903
PubChem: 2133
ref: mol2, SDF, SMILES, flexibase
3.92,0.48,-13.65,1,7,0, 502.579, 4

Similar to: 3977775, 3977776, 3977777, 3977778, 11616257, ... 20 in total.
3938751
 
#10

ChemMol: 30111605, 44008127
Molport: MolPort-003-986-909, MolPort-002-529-265
AK Scientific: H040, X1051
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...240 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-13.25,2,6,0, 430.541, 4

Similar to: 3952322, 3977887, 3977888, 3977889, 3977890, ... 45 in total.
4097286
 
#11

ChemMol: 30111605, 44008127
Molport: MolPort-002-529-265
AK Scientific: H040
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...174 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-12.84,2,6,0, 430.541, 4

Similar to: 3830334, 3830335, 3830336, 3830337, 3938751, ... 9 in total.
3938744
 
#12

ChemMol: 30109392
Molport: MolPort-002-530-411
American Custom Chemicals Corp.: API0001601
APIChem: AC-2159
Ark Pharm Building Blocks: AK163195...155 total

ref: mol2, SDF, SMILES, flexibase
4.49,12.76,-16.85,1,7,0, 521.05, 8

Similar to: 8035406, 8789850, 11592769, 11592770, 22049777, ... 36 in total.
4744093
 
#13

ChemMol: 44029555, 30106821
Molport: MolPort-002-507-473
APIChem: AC-18907
Bosche Scientific: M2734
IBScreen Bioactives: Bio-0659...75 total

ref: mol2, SDF, SMILES, flexibase
2.77,7.29,-15.02,2,6,0, 416.514, 4
ref: mol2, SDF, SMILES, flexibase
2.77,7.48,-15.13,2,6,0, 416.514, 4
2570895
 
#14

ChemMol: 30101980, 2001102, 96708140, 44002338, 97900771
eMolecules: 901601
ACT Chemical BB: ACT02648
Active BioPharma: 1607
AKOS: AKOS015842517...265 total

ref: mol2, SDF, SMILES, flexibase
3.61,5.33,-11.94,2,5,0, 381.379, 4

Similar to: 3948753, 34232022, 34232689, 34340813, 34341012, ... 30 in total.
12346
 
#15

ChemMol: 44009067, 30114285, 30102975, 2100045, 44002976
eMolecules: 31588897
Molport: MolPort-023-220-538
AK Scientific: R836
American Custom Chemicals Corp.: API0001223...170 total

ref: mol2, SDF, SMILES, flexibase
-1.09,-2.17,-16.53,3,6,0, 229.261, 2

Similar to: 5857297, 6482631, 6524232, 6524885, 6524886, ... 6 in total.
896958
 
#16

ChemMol: 44004390, 30105044
Molport: MolPort-003-355-582
APIChem: AC-23382
Boerchem Pharmatech BB: BC209826
Bosche Scientific: G3576...138 total

ref: mol2, SDF, SMILES, flexibase
-0.85,11.13,-35.57,1,4,1, 318.437, 5

Similar to: 3954478, 4213498, 5065158, 5933421, 5933426, ... 11 in total.
968301
 
#17

ChemMol: 30105044, 44004390
APIChem: AC-23382
Boerchem Pharmatech BB: BC209826
Bosche Scientific: G3576
Element Store BB: b2star-596-51-0...129 total

ref: mol2, SDF, SMILES, flexibase
-0.85,11.14,-35.8,1,4,1, 318.437, 5

Similar to: 3954478, 4213498, 5065158, 5933421, 5933426, ... 13 in total.
346
 
#18

ChemMol: 30105044, 44004390
APIChem: AC-23382
Boerchem Pharmatech BB: BC209826
Bosche Scientific: G3576
Element Store BB: b2star-596-51-0...122 total

ref: mol2, SDF, SMILES, flexibase
-0.85,10.75,-34.79,1,4,1, 318.437, 5

Similar to: 364, 896958, 896968, 968301, 1693017, ... 12 in total.
896968
 
#19

ChemMol: 44004390, 30105044
APIChem: AC-23382
Boerchem Pharmatech BB: BC209826
Bosche Scientific: G3576
Element Store BB: b2star-596-51-0...118 total

ref: mol2, SDF, SMILES, flexibase
-0.85,10.75,-34.86,1,4,1, 318.437, 5

Similar to: 3954478, 4213498, 5065158, 5933421, 5933426, ... 11 in total.
3875560
 
#20

ChemMol: 30103602, 44003320
Molport: MolPort-002-507-412
TCM Database @ Taiwan: 26766
AK Scientific: H972
AKOS: AKOS015969744...157 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.59,-15.94,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 4 in total.
57255
 
#21

ChemMol: 30101261
eMolecules: 535944
AK Scientific: H530
Angene Building Blocks: AGN-PC-0UBHCY
APIChem: AC-11367...110 total

ref: mol2, SDF, SMILES, flexibase
1.22,-2.05,-19.26,4,6,0, 338.772, 2

Similar to: 39316655, 39316656, 20253,
20253
 
#22

ChemMol: 30101261
eMolecules: 535944
AK Scientific: H530
Angene Building Blocks: AGN-PC-0UBHCY
APIChem: AC-11367...102 total

ref: mol2, SDF, SMILES, flexibase
1.22,-2.11,-15.19,4,6,0, 338.772, 2

Similar to: 57255, 39316655, 39316656,
3780893
 
#23

ChemMol: 80101252, 30101583, 44002060
eMolecules: 2724261
Molport: MolPort-027-564-866, MolPort-021-783-327
AKOS: AKOS015842733, AKOS005111006
Alinda: IBS-L0214140...279 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.51,-13.61,1,5,0, 418.574, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 51 in total.
4097305
 
#24

ChemMol: 30109772
AK Scientific: Q834
American Custom Chemicals Corp.: API0002727
APIChem: AC-3514
Bosche Scientific: F5695...87 total

ref: mol2, SDF, SMILES, flexibase
2.59,5.98,-18.64,2,6,0, 434.504, 2

Similar to: 4097306, 5727806, 5727807, 5727821, 5727822, ... 18 in total.
1530856
 
#25

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...104 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.19,-10.22,3,4,0, 232.283, 2

Similar to: 3642235, 5923953, 5954857, 28767186, 28767188, ... 8 in total.
1530855
 
#26

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...100 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.15,-10.17,3,4,0, 232.283, 2

Similar to: 1530856, 3642235, 5923953, 5954857, 39270288, ... 6 in total.
3812841
 
#27

ChemMol: 30102048, 44002393, 97602700, 80101350, 30103502
eMolecules: 591670
Molport: MolPort-023-220-339
AK Scientific: K287
AKOS: AKOS005267139...236 total

ref: mol2, SDF, SMILES, flexibase
4.35,11.28,-12.84,1,5,0, 404.547, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 47 in total.
3830285
 
#28

Molport: MolPort-007-981-051
Element Store BB: b2star-378-44-9
Lab Seeker Building Blocks: SC-15701
Labotest: LT00441022
Mcule: MCULE-8449904782...49 total

ref: mol2, SDF, SMILES, flexibase
2.06,2.36,-15.42,3,5,0, 392.467, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 52 in total.
3830286
 
#29

Molport: MolPort-007-981-051
Element Store BB: b2star-378-44-9
Lab Seeker Building Blocks: SC-15701
Labotest: LT00441022
Mcule: MCULE-8449904782...50 total

ref: mol2, SDF, SMILES, flexibase
2.06,2.65,-15.96,3,5,0, 392.467, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 53 in total.
3830287
 
#30

Molport: MolPort-007-981-051
Element Store BB: b2star-378-44-9
Lab Seeker Building Blocks: SC-15701
Labotest: LT00441022
Mcule: MCULE-8449904782...49 total

ref: mol2, SDF, SMILES, flexibase
2.06,2.99,-13.9,3,5,0, 392.467, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 53 in total.
3830288
 
#31

Molport: MolPort-007-981-051
Element Store BB: b2star-378-44-9
Lab Seeker Building Blocks: SC-15701
Labotest: LT00441022
Mcule: MCULE-8449904782...49 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.21,-15.6,3,5,0, 392.467, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 53 in total.
34781704
 
#32

ChemMol: 97901231, 44006075, 30113599, 44002265, 2101363, 30106916, 30101878, 30104941, 97602839, 44001372, 30100925
eMolecules: 2735330, 901680, 2723827
Molport: MolPort-002-507-842, MolPort-002-885-817
Acorn PharmaTech: ACN-S002003
ACT Chemical BB: ACT04766...378 total

ref: mol2, SDF, SMILES, flexibase
3.68,9.08,-5.9,0,3,0, 321.829, 4

Similar to: 41844213, 41844216, 41844258, 41844260, 41844278, ... 11 in total.
601301
 
#33

Element Store BB: b2star-73-48-3
KeyOrganics Bioactives: HS-0095
Labotest: LT00771796
MicroSource Pharmakon: 01503104
MicroSource US Drugs: 01503104...74 total

ref: mol2, SDF, SMILES, flexibase
1.95,-0.44,-18.45,4,7,0, 421.422, 4
mid: mol2, SDF, SMILES, flexibase
1.95,-0.92,-44.66,3,7,-1, 420.414, 4

Similar to: 897222,
897222
 
#34

Element Store BB: b2star-73-48-3
KeyOrganics Bioactives: HS-0095
Labotest: LT00771796
MicroSource Pharmakon: 01503104
MicroSource US Drugs: 01503104...80 total

ref: mol2, SDF, SMILES, flexibase
1.95,-0.45,-18.74,4,7,0, 421.422, 4
mid: mol2, SDF, SMILES, flexibase
1.95,-0.86,-44.53,3,7,-1, 420.414, 4

Similar to: 601301,
3875334
 
#35

ChemMol: 80101513, 30102233
Acros Organics: 44896
American Custom Chemicals Corp.: API0002118
APIChem: AC-6827
Ark Pharm Building Blocks: AK163492...56 total

ref: mol2, SDF, SMILES, flexibase
2.14,8.57,-14.86,1,6,0, 402.487, 4

Similar to: 3978023, 3978024, 3978025, 3978026, 4535875, ... 28 in total.
4785
 
#36

ChemMol: 30100527, 2100000, 44000795
eMolecules: 535714
Molport: MolPort-023-220-275
Scientific Exchange (make on demand): POD_84/0323
Acros Organics: 34436...174 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.95,-10.42,2,3,0, 236.274, 0
ref: mol2, SDF, SMILES, flexibase
2.60,5.58,-25.52,3,3,1, 237.282, 1
mid: mol2, SDF, SMILES, flexibase
2.60,5.16,-7.11,2,3,0, 236.274, 1
mid: mol2, SDF, SMILES, flexibase
2.60,4.97,-7.87,2,3,0, 236.274, 1
17364045
 
#37

ChemMol: 44002243, 30101839
eMolecules: 1360413
AKOS: AKOS000548952
APIChem: AC-5898
BePharm Building Blocks: B129871...113 total

ref: mol2, SDF, SMILES, flexibase
2.40,9.08,-7.82,0,4,0, 244.294, 5
lo: mol2, SDF, SMILES, flexibase
2.40,9.59,-36.42,1,4,1, 245.302, 5

Similar to: 31555173, 31555198, 39293395, 44200965, ... 5 in total.
1408
 
#38

ChemMol: 1030456, 30101839, 97900804, 44002243
eMolecules: 1360413
Active BioPharma: 1661
AK Scientific: X5016
AKOS: AKOS015920052...163 total

ref: mol2, SDF, SMILES, flexibase
2.40,9.09,-7.82,0,4,0, 244.294, 5
lo: mol2, SDF, SMILES, flexibase
2.40,9.59,-36.35,1,4,1, 245.302, 5

Similar to: 17364045,
83
 
#39

ChemMol: 44002291
eMolecules: 2724744
Molport: MolPort-003-666-134
AK Scientific: I014
BOC Sciences BB: 111244-96-3...81 total

ref: mol2, SDF, SMILES, flexibase
-4.01,2.07,-34.67,2,4,1, 161.225, 4

Similar to: 3830314,
3830314
 
#40

ChemMol: 44002291
eMolecules: 2724744
Molport: MolPort-003-666-134
AK Scientific: I014
Boerchem Pharmatech BB: BC204056...82 total

ref: mol2, SDF, SMILES, flexibase
-4.01,2.05,-34.72,2,4,1, 161.225, 4

Similar to: 39017623, 83,
22002214
 
#41

ChemMol: 97900077, 30113273, 30116015, 44007154
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-22611...111 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.34,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,7.04,-48.98,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
22002218
 
#42

ChemMol: 97900077, 30113273, 30116015, 44007154
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-7052...115 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.35,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,6.82,-50.27,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
3079336
 
#43

ChemMol: 80101152
Scientific Exchange (make on demand): F-434646
TCM Database @ Taiwan: tcm03_000101
Acros Organics: 15917, 40018
AK Scientific: X7331...235 total

ref: mol2, SDF, SMILES, flexibase
-3.56,6.42,-34.1,0,3,1, 146.21, 4
3875332
 
#44

ChemMol: 30100969, 44001438
Molport: MolPort-003-666-157
Acros Organics: 23030
Alfa-Aesar: A17590
Alinda: IBS-L0216355...431 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.98,-16.38,3,5,0, 392.467, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 57 in total.
3875070
 
#45

Scientific Exchange (make on demand): Q-029593
AKOS: AKOS000490915
Alinda: IBS-L0044627
Aronis: a01265
ChemBridge: 7215855...81 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.17,-7.37,1,2,0, 288.431, 0
3875071
 
#46

Scientific Exchange (make on demand): Q-029593
AKOS: AKOS000490915
Alinda: IBS-L0044627
Aronis: a01265
ChemBridge: 7215855...79 total

ref: mol2, SDF, SMILES, flexibase
3.25,6.95,-7.78,1,2,0, 288.431, 0

Similar to: 3940856, 3940858, 3989055,
1138943
 
#47

Scientific Exchange (make on demand): Q-029593
AKOS: AKOS000490915
Alinda: IBS-L0044627
Aronis: a01265
ChemBridge: 7215855...81 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.29,-7.1,1,2,0, 288.431, 0

Similar to: 3881780, 3881781, 3881782, 3881783, 3881794, ... 63 in total.
3875072
 
#48

Scientific Exchange (make on demand): Q-029593
AKOS: AKOS000490915
Alinda: IBS-L0044627
Aronis: a01265
ChemBridge: 7215855...78 total

ref: mol2, SDF, SMILES, flexibase
3.25,6.96,-7.22,1,2,0, 288.431, 0

Similar to: 3940856, 3940858, 3989055,
4216238
 
#49

ChemMol: 30108335, 44010575, 97900454
eMolecules: 6842904
Molport: MolPort-006-123-542
Acorn PharmaTech: ACN-S001560
Active BioPharma: 949...111 total

ref: mol2, SDF, SMILES, flexibase
-0.37,-5.85,-13.27,5,9,0, 285.235, 2

Similar to: 6585604, 13718967, 16933107, 16933111, 22059332, ... 12 in total.
4321
 
#50

ChemMol: 44004002, 30104440
eMolecules: 902702
Acorn PharmaTech: ACN-S001712
AK Scientific: X5022
AKOS: AKOS001312269...106 total

ref: mol2, SDF, SMILES, flexibase
0.72,-0.51,-18.88,2,5,0, 212.23, 2
2510358
 
#51

ChemMol: 44002729, 30102586, 44002222
eMolecules: 4397096
Molport: MolPort-002-537-529, MolPort-023-220-294, MolPort-005-935-649
Scientific Exchange (make on demand): H-095879, M-317662
Acros Organics: 17173...288 total

ref: mol2, SDF, SMILES, flexibase
2.18,4.66,-7.46,2,4,0, 252.273, 2
mid: mol2, SDF, SMILES, flexibase
2.36,2.13,-45.39,1,4,-1, 251.265, 2

Similar to: 32254056,
2548959
 
#52

ChemMol: 44002506, 30102191
eMolecules: 533332
Scientific Exchange (make on demand): F-137803
TCM Database @ Taiwan: 25806, tcm03_009004
Acros Organics: 21415...116 total

ref: mol2, SDF, SMILES, flexibase
2.28,6.1,-16.38,0,4,0, 216.192, 1

Similar to: 5863036, 39291087, 39291089,
19796155
 
#53

ChemMol: 30101986, 44002342, 97900006
eMolecules: 36635336
Molport: MolPort-001-728-041
Active BioPharma: 32
AK Scientific: H482...119 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.55,-7.08,1,4,0, 326.831, 1
mid: mol2, SDF, SMILES, flexibase
4.14,11.23,-89.99,3,4,2, 328.847, 1
mid: mol2, SDF, SMILES, flexibase
4.14,9.89,-42.06,2,4,1, 327.839, 1
hi: mol2, SDF, SMILES, flexibase
4.14,8.88,-23.43,2,4,1, 327.839, 1
lo: mol2, SDF, SMILES, flexibase
4.14,11.17,-19.71,4,4,0, 329.855, 1

Similar to: 31880687, 32131087, 32131089, 34450909, 34539532, ... 18 in total.
3861806
 
#54

ChemMol: 44002002, 30101274
eMolecules: 531049
TCM Database @ Taiwan: tcm03_006957
Acros Organics: 22841
Aldrich CPR: S284386|ALDRICH...174 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.95,-16.81,1,8,0, 414.41, 4

Similar to: 4098919, 4098920, 4475321, 11682059, 16969582, ... 13 in total.
19632834
 
#55

ChemMol: 97602995, 30111014, 30104584, 97900005, 44004116, 2100002
Molport: MolPort-002-885-823
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
AKOS: AKOS015895596...195 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.34,-16.14,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.
155694
 
#56

Acros Organics: 20396
Aldrich CPR: PH006885|ALDRICH
Alfa-Aesar: L11508
BioSynth: W-105248
MicroSource Pharmakon: 01500213...116 total

ref: mol2, SDF, SMILES, flexibase
0.76,3.69,-9.87,1,4,0, 261.089, 5
ref: mol2, SDF, SMILES, flexibase
0.76,3.27,-10.81,1,4,0, 261.089, 5

Similar to: 1557199, 1558365, 1558370, 1559318, 1559319, ... 13 in total.
1530572
 
#57

KeyOrganics Bioactives: KS-5212
MicroSource Pharmakon: 01500152
MicroSource US Drugs: 01500152
Prestwick Chemical: Prestw-1179
Princeton BioMolecular Research: OSSL_477665...42 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-1.19,-22.76,0,6,0, 246.306, 7

Similar to: 34599154, 34621863, 38246873, 39275079, ... 4 in total.
1530950
 
#58

ChemMol: 44005839, 30109141
AKOS: AKOS015842914
APIChem: AC-212
BioSynth: W-104280
Boerchem Pharmatech BB: BC215420...95 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.01,-10.35,3,6,0, 260.334, 9

Similar to: 1530951, 5761242, 5761466, 5819038, 5819699, ... 41 in total.
1530951
 
#59

ChemMol: 44005839, 30109141
AKOS: AKOS015842914
APIChem: AC-212
BioSynth: W-104280
Boerchem Pharmatech BB: BC215420...97 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.01,-10.4,3,6,0, 260.334, 9

Similar to: 5761242, 5761466, 5819038, 5819699, 5819700, ... 41 in total.
3872055
 
#60

ChemMol: 30106726
eMolecules: 536171
Molport: MolPort-003-666-143
APIChem: AC-18732
BioSynth: W-105353...99 total

ref: mol2, SDF, SMILES, flexibase
0.02,-2.8,-27.91,3,7,0, 295.729, 1

Similar to: 5850651, 34331730,
1131
 
#61

ChemMol: 30101930, 44024266, 96707580, 2001066, 30112683
eMolecules: 537541
Acros Organics: 11343
AKOS: AKOS000271338
Alfa-Aesar: B23809...165 total

ref: mol2, SDF, SMILES, flexibase
3.21,3.07,-6.02,1,2,0, 214.051, 0
mid: mol2, SDF, SMILES, flexibase
3.21,3.83,-41.97,0,2,-1, 213.043, 0
3872520
 
#62

ChemMol: 30103288
AK Scientific: M381
Angene Building Blocks: AGN-PC-0508PR
Anward: ANW-42028
APIChem: AC-13715...82 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.39,-12.08,2,2,0, 166.249, 2
lo: mol2, SDF, SMILES, flexibase
1.46,3.72,-44.66,3,2,1, 167.257, 2

Similar to: 33846098,
57340
 
#63

ChemMol: 30101849, 44002247
Anward: ANW-42701
APIChem: AC-12037
Boerchem Pharmatech BB: BC203907
Bosche Scientific: M1552...72 total

ref: mol2, SDF, SMILES, flexibase
0.45,-1.29,-12.85,3,6,0, 241.243, 7
57341
 
#64

ChemMol: 44002247, 30101849
Anward: ANW-42701
APIChem: AC-12037
Boerchem Pharmatech BB: BC203907
Bosche Scientific: M1552...77 total

ref: mol2, SDF, SMILES, flexibase
0.45,-1.29,-12.84,3,6,0, 241.243, 7
896569
 
#65

ChemMol: 80101468, 30100984
eMolecules: 539058
Scientific Exchange (make on demand): POD_84/0364
AKOS: AKOS000121373
Alfa-Aesar: B22093...185 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-5.31,-19.65,4,7,0, 297.745, 1
1530968
 
#66

eMolecules: 496659
AK Scientific: 0895AC
Ark Pharm Building Blocks: AK116474
BePharm Building Blocks: B133111
Chembo Pharma: KB-247348...111 total

ref: mol2, SDF, SMILES, flexibase
7.10,6.77,-3,2,2,0, 406.907, 2
mid: mol2, SDF, SMILES, flexibase
7.10,7.44,-29.19,1,2,-1, 405.899, 2
hi: mol2, SDF, SMILES, flexibase
7.10,8.19,-81.93,0,2,-2, 404.891, 2

Similar to: 31302577, 31561838, 32223845, 36468840, ... 4 in total.
1590
 
#67

ChemMol: 44002528
eMolecules: 523728
Scientific Exchange (make on demand): Q-049151
Acros Organics: 12260
AKOS: AKOS000119062...230 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-0.4,-10.32,3,4,0, 137.142, 1
2216
 
#68

ChemMol: 1034685, 44010816, 30100627
AKOS: AKOS015850380
Alfa-Aesar: L18655
Angene Building Blocks: AGN-PC-01UYVN
Anward: ANW-42338...195 total

ref: mol2, SDF, SMILES, flexibase
5.13,6.75,-4,1,2,0, 289.545, 2
mid: mol2, SDF, SMILES, flexibase
5.13,7.67,-38.31,0,2,-1, 288.537, 2
449
 
#69

ChemMol: 30105043
AK Scientific: 1988AC
American Custom Chemicals Corp.: API0009597
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470...76 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-35.52,1,4,1, 340.443, 5

Similar to: 390424, 390426, 390428, 390430, 601314, ... 8 in total.
3813083
 
#70

ChemMol: 30105043
AK Scientific: 1988AC
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470
BePharm Building Blocks: B137418...81 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-36.15,1,4,1, 340.443, 5

Similar to: 449,
1530761
 
#71

ChemMol: 30103055
AK Scientific: V0361, X6652
APIChem: AC-13428
BioSynth: W-105970
Bosche Scientific: P2407...76 total

ref: mol2, SDF, SMILES, flexibase
0.79,13.17,-36.89,0,4,1, 368.497, 7

Similar to: 1530932, 1700406, 2224179, 5761520, 32240673, ... 5 in total.
12503156
 
#72

Element Store BB: b2star-51-15-0, b2star-94-63-3
Vesino Industrial Co Ltd: VP14978, VP14369, VP14370
AKOS BB (make-on-demand): AKOS015892104
Collaborative Drug Discovery: 1420223, 47218
IUPHAR Database: 4652...43 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.84,-33.14,0,3,0, 136.154, 1
mid: mol2, SDF, SMILES, flexibase
0.84,4.23,-29.81,0,3,0, 136.154, 1

Similar to: 34006370,
1979
 
#73

ChemMol: 44011667
eMolecules: 593774
Scientific Exchange (make on demand): M-982010
AK Scientific: H808
AKOS: AKOS003368409...83 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.9,-12.3,2,4,0, 218.256, 2

Similar to: 32189196, 32199067, 32199070,
2005
 
#74

ChemMol: 44011445
eMolecules: 531199
Molport: MolPort-023-219-632
Scientific Exchange (make on demand): Z-001854
Acros Organics: 15764...99 total

ref: mol2, SDF, SMILES, flexibase
-0.51,-4.55,-7.5,2,4,0, 123.115, 1
120286
 
#75

ChemMol: 30103593, 80101119
Scientific Exchange (make on demand): R-035360
Acorn PharmaTech: ACN-S002486
AKOS: AKOS003790819
Alfa-Aesar: B20044...127 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.67,-11.38,6,7,0, 253.269, 1
mid: mol2, SDF, SMILES, flexibase
0.82,3.17,-25.15,7,7,1, 254.277, 1

Similar to: 603370, 603371, 603372, 603373, 603376, ... 11 in total.
970363
 
#76

Amidohydrolase AH-EFI: Adenosine-beta-d-ara
Molport: MolPort-003-666-308
AKOS: AKOS015919711
Alfa-Aesar: A10781
Angene Building Blocks: AGN-PC-0SIZKY...169 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-5.28,-13.98,5,9,0, 267.245, 2

Similar to: 3978047, 3978048, 3978049, 4048240, 34425125, ... 5 in total.
3881958
 
#77

ChemMol: 30103049
Molport: MolPort-002-507-416
AK Scientific: H066
American Custom Chemicals Corp.: API0002209
APIChem: AC-6836...79 total

ref: mol2, SDF, SMILES, flexibase
4.25,8.29,-9.21,1,3,0, 337.463, 0

Similar to: 3995673, 3995674, 3995676, 4029101, 4029102, ... 31 in total.
3881556
 
#78

Molport: MolPort-002-507-065
Scientific Exchange (make on demand): F-446360
Amadis Chemical: A845765
American Custom Chemicals Corp.: API0002610
Aronis BuildingBlocks: BBC/580...58 total

ref: mol2, SDF, SMILES, flexibase
5.56,11.28,-7.13,1,3,0, 356.506, 5

Similar to: 3977999, 3978000, 4544103, 6396443, 6396445, ... 15 in total.
1341
 
#79

ChemMol: 44007784
AK Scientific: Y5827
Angene Building Blocks: AGN-PC-0JK8H4
Anward: ANW-64241
Ark Pharm Building Blocks: AK-95497...106 total

ref: mol2, SDF, SMILES, flexibase
-2.06,4.96,-29.63,1,2,1, 166.244, 2
hi: mol2, SDF, SMILES, flexibase
-2.06,5.72,-41.43,0,2,0, 165.236, 2
3977981
 
#80

ChemMol: 30106817, 2100036, 44005570
Molport: MolPort-002-507-470
American Custom Chemicals Corp.: API0002730
APIChem: AC-429
Aronis BuildingBlocks: BBC/733...115 total

ref: mol2, SDF, SMILES, flexibase
2.57,5.66,-19.89,2,6,0, 452.494, 2

Similar to: 3977982, 3977983, 4273380, 4273381, 4544801, ... 37 in total.
643114
 
#81

ChemMol: 30101823, 44002231
eMolecules: 539574
Alinda: IBS-L0216434
APIChem: AC-2073
Aronis: e00774...95 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.93,-19.38,3,6,0, 365.842, 3

Similar to: 3644963, 3644965, 601305,
601305
 
#82

ChemMol: 44002231, 30101823
eMolecules: 539574
Alinda: IBS-L0216434
APIChem: AC-2073
Aronis: e00774...107 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.92,-19.14,3,6,0, 365.842, 3

Similar to: 643114, 3644963, 3644965,
13782937
 
#83

Molport: MolPort-005-976-538, MolPort-003-983-442
AKOS: AKOS015994717
American Custom Chemicals Corp.: API0003022, API0006522
Ark Pharm Building Blocks: AK110411
BioSynth: W-107489...232 total

ref: mol2, SDF, SMILES, flexibase
-1.47,9.34,-34.51,1,4,1, 332.464, 6

Similar to: 32149595, 32150171, 32150184, 34424649, 34582155, ... 13 in total.
5029557
 
#84

ChemMol: 30101049
Molport: MolPort-002-507-374
AK Scientific: I028
American Custom Chemicals Corp.: API0006449
APIChem: AC-2174...119 total

ref: mol2, SDF, SMILES, flexibase
4.04,11.72,-14.72,0,4,0, 386.532, 3

Similar to: 34585431, 38627122, 38627126, 38627130, 38627134, ... 5 in total.
1849528
 
#85

AK Scientific: I039
Aldrich CPR: R752029|ALDRICH
BePharm Building Blocks: B56085
Chembo Pharma: KB-277958
Enamine Building Blocks: EN300-49856...59 total

ref: mol2, SDF, SMILES, flexibase
3.94,11.8,-13.49,0,3,0, 340.463, 2

Similar to: 3881629, 3946448, 3977933, 3977934, 3977936, ... 36 in total.
3814419
 
#86

eMolecules: 4775667
Molport: MolPort-002-509-542
Scientific Exchange (make on demand): F-446319
American Custom Chemicals Corp.: API0003629, API0003628
APIChem: AC-11100...93 total

ref: mol2, SDF, SMILES, flexibase
3.07,8.05,-6.86,1,2,0, 298.426, 0

Similar to: 4820551, 5736162, 5736163, 5752387, 16968675, ... 10 in total.
20221
 
#87

ChemMol: 30106917
AK Scientific: M727
Anward: ANW-46490
Apexmol Building Blocks: AM20040460
APIChem: AC-19025...97 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.17,-8.61,0,2,0, 228.291, 4
2009
 
#88

ChemMol: 30113585, 44027744
eMolecules: 593947
Molport: MolPort-003-666-466
AK Scientific: H494
Angene Building Blocks: AGN-PC-0JK84X...107 total

ref: mol2, SDF, SMILES, flexibase
-3.93,5.21,-32.63,0,4,1, 181.215, 2
57532
 
#89

ChemMol: 97900361, 30102335, 44002583
eMolecules: 595233
Active BioPharma: 681
Apexmol Building Blocks: AM84467
APIChem: AC-816...106 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.51,-11.81,1,4,0, 284.359, 6
lo: mol2, SDF, SMILES, flexibase
1.59,5.96,-39.25,2,4,1, 285.367, 6
57533
 
#90

ChemMol: 44002583, 97900361, 30102335
eMolecules: 595233
Active BioPharma: 681
Apexmol Building Blocks: AM84467
APIChem: AC-816...93 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.9,-9.9,1,4,0, 284.359, 6
lo: mol2, SDF, SMILES, flexibase
1.59,6.35,-36.37,2,4,1, 285.367, 6
3875481
 
#91

ChemMol: 30106823, 2100084
Molport: MolPort-002-937-437, MolPort-002-529-154, MolPort-002-507-467, MolPort-023-221-358
AKOS: AKOS005386450
American Custom Chemicals Corp.: API0004486
APIChem: AC-18909...170 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.61,-17.63,2,6,0, 434.504, 2

Similar to: 3882040, 3882041, 3882042, 3977908, 3977909, ... 42 in total.
73711
 
#92

ChemMol: 30100131
eMolecules: 510269
Scientific Exchange (make on demand): X-074877
AKOS: AKOS000120940
Alinda: IBS-L0127380...209 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.04,-9.14,1,3,0, 201.254, 1
905
 
#93

ChemMol: 30101821, 44002230
eMolecules: 520050
AKOS: AKOS001729401
APIChem: AC-12006
BioBlocks: A0567/0026158...123 total

ref: mol2, SDF, SMILES, flexibase
2.18,11.48,-8.91,0,6,0, 210.285, 3
mid: mol2, SDF, SMILES, flexibase
2.18,11.58,-23.57,1,6,1, 211.293, 3

Similar to: 1900, 1446096, 1584938, 1708611, 1708612, ... 6 in total.
3831418
 
#94

eMolecules: 1988794
Molport: MolPort-003-724-722
Acorn PharmaTech: ACN-S001314
APIChem: AC-988
ChemDiv: 2713-0056...41 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-7.63,-16.84,5,9,0, 244.207, 3

Similar to: 4245717, 5821476, 6585246, 6585252, 6603353, ... 14 in total.
3831419
 
#95

eMolecules: 1988794
Molport: MolPort-003-724-722
Acorn PharmaTech: ACN-S001314
APIChem: AC-988
ChemDiv: 2713-0056...42 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-8.23,-17.96,5,9,0, 244.207, 3

Similar to: 4245717, 5821476, 6585246, 6585252, 6603353, ... 17 in total.
3831420
 
#96

eMolecules: 1988794
Molport: MolPort-003-724-722
Acorn PharmaTech: ACN-S001314
APIChem: AC-988
ChemDiv: 2713-0056...39 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-9.38,-15.05,5,9,0, 244.207, 3

Similar to: 4245717, 5821476, 6585246, 6585252, 6603353, ... 22 in total.
3831421
 
#97

eMolecules: 1988794
Molport: MolPort-003-724-722
Acorn PharmaTech: ACN-S001314
APIChem: AC-988
ChemDiv: 2713-0056...34 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-8.81,-21.51,5,9,0, 244.207, 3

Similar to: 4245717, 5821476, 6585246, 6585252, 6603353, ... 23 in total.
137884
 
#98

ChemMol: 30101824, 44002232
eMolecules: 739264, 206905231
Acros Organics: 45494
AK Scientific: H940
AKOS: AKOS003631533...177 total

ref: mol2, SDF, SMILES, flexibase
-0.54,-0.44,-16.04,2,6,0, 224.216, 2

Similar to: 5827989, 6119019, 6119022, 6403940, 6521121, ... 35 in total.
3830846
 
#99

Molport: MolPort-002-497-855
Scientific Exchange (make on demand): F-441627
Alinda Building Blocks: ALBB-023675
ChemDiv BuildingBlocks: BB57-4924
Element Store BB: b2star-50-91-9...40 total

ref: mol2, SDF, SMILES, flexibase
-1.72,-4.89,-10.74,3,7,0, 246.194, 2
hi: mol2, SDF, SMILES, flexibase
-1.26,-7.64,-47.75,2,7,-1, 245.186, 2

Similar to: 3977743, 3977744, 4045293, 6091181, 6523987, ... 14 in total.
388678
 
#100

Molport: MolPort-002-497-855
Scientific Exchange (make on demand): F-441627
Alinda Building Blocks: ALBB-023675
ChemDiv BuildingBlocks: BB57-4924
Element Store BB: b2star-50-91-9...37 total

ref: mol2, SDF, SMILES, flexibase
-1.72,-4.03,-17.41,3,7,0, 246.194, 2
hi: mol2, SDF, SMILES, flexibase
-1.26,-6.78,-57.51,2,7,-1, 245.186, 2

Similar to: 3977743, 3977744, 4045293, 6524146, 34132155, ... 11 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 = 628 ) limit 0,100

Smiles were