UCSF banner
Search Results
Initial search took 0 second(s).
Beginning : #1 Hits: 100 Display:   per page=

Download: Show Detail?
Done
ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

Click for quick 3D display
71880100
 
#1

eMolecules: 37021229
Molport: MolPort-020-086-186
Enamine: Z1142313447
Mcule: MCULE-5734358890
PubChem: 56803013...6 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.5,-10.01,2,5,0, 349.415, 4
hi: mol2, SDF, SMILES, flexibase
3.02,6.7,-41.54,1,5,-1, 348.407, 4
71880098
 
#2

eMolecules: 37021227
Molport: MolPort-020-086-185
Enamine: Z1142313427
Mcule: MCULE-6965640898
PubChem: 56803012...6 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.47,-11.71,2,5,0, 349.415, 4
hi: mol2, SDF, SMILES, flexibase
2.99,6.64,-42.39,1,5,-1, 348.407, 4
71880096
 
#3

eMolecules: 37021227
Molport: MolPort-020-086-185
Enamine: Z1142313427
Mcule: MCULE-6965640898
PubChem: 56803012...6 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.49,-11.86,2,5,0, 349.415, 4
hi: mol2, SDF, SMILES, flexibase
2.99,6.67,-42.23,1,5,-1, 348.407, 4
66346808
 
#4

Molport: MolPort-023-219-566
AKOS: AKOS015898975
Key Organics Building Blocks: SS-4363
KeyOrganics: SS-4363
Mcule: MCULE-7180497459...13 total

ref: mol2, SDF, SMILES, flexibase
0.45,2.27,-8.19,1,4,0, 196.25, 2
71880095
 
#5

eMolecules: 37021225
Molport: MolPort-020-086-184
Enamine: Z1142313075
Mcule: MCULE-1160471620
PubChem: 56803011...6 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.34,-8.33,2,5,0, 325.393, 4
hi: mol2, SDF, SMILES, flexibase
2.19,4.46,-48.35,1,5,-1, 324.385, 4
71880093
 
#6

eMolecules: 37021225
Molport: MolPort-020-086-184
Enamine: Z1142313075
Mcule: MCULE-1160471620
PubChem: 56803011...6 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.37,-8.39,2,5,0, 325.393, 4
hi: mol2, SDF, SMILES, flexibase
2.19,4.49,-48.06,1,5,-1, 324.385, 4
71880092
 
#7

eMolecules: 37021223
Molport: MolPort-020-086-183
Enamine: Z1142310613
Mcule: MCULE-5543858049
PubChem: 56803010...6 total

ref: mol2, SDF, SMILES, flexibase
1.44,4.04,-10.33,2,6,0, 331.347, 6
hi: mol2, SDF, SMILES, flexibase
1.62,3.18,-48.38,1,6,-1, 330.339, 6
71880090
 
#8

eMolecules: 37021221
Molport: MolPort-020-086-182
Enamine: Z1142309801
Mcule: MCULE-1365394628
PubChem: 56803009...6 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.38,-12.5,2,5,0, 340.354, 6

Similar to: 41187487,
71880089
 
#9

eMolecules: 37021219
Molport: MolPort-020-086-181
Enamine: Z1142309202
Mcule: MCULE-9613410064
PubChem: 56803008...6 total

ref: mol2, SDF, SMILES, flexibase
1.25,2.03,-10.92,2,7,0, 347.346, 7
hi: mol2, SDF, SMILES, flexibase
1.44,1.17,-48.82,1,7,-1, 346.338, 7
71880087
 
#10

eMolecules: 37021217
Molport: MolPort-020-086-180
Enamine: Z1142309187
Mcule: MCULE-8892445497
PubChem: 56803007...6 total

ref: mol2, SDF, SMILES, flexibase
1.47,1.91,-10.73,2,7,0, 347.346, 7
hi: mol2, SDF, SMILES, flexibase
1.66,1.05,-46.8,1,7,-1, 346.338, 7
71880086
 
#11

eMolecules: 37021215
Molport: MolPort-020-086-179
Enamine: Z1142309186
Mcule: MCULE-4960885142
PubChem: 56803006...6 total

ref: mol2, SDF, SMILES, flexibase
1.07,3.44,-10.35,2,6,0, 317.32, 6
hi: mol2, SDF, SMILES, flexibase
1.26,2.56,-48.48,1,6,-1, 316.312, 6
69737570
 
#12

eMolecules: 36697972
Molport: MolPort-020-086-178
Enamine: Z1142037711
Mcule: MCULE-9441360386
PubChem: 53599043...6 total

ref: mol2, SDF, SMILES, flexibase
0.94,0.7,-17.69,2,6,0, 298.364, 7
69737023
 
#13

eMolecules: 36697970
Molport: MolPort-020-086-177
Enamine: Z1142037691
Mcule: MCULE-1390722048
PubChem: 53598650...6 total

ref: mol2, SDF, SMILES, flexibase
2.21,2.87,-17.85,2,6,0, 340.445, 6
71880082
 
#14

eMolecules: 37021213
Molport: MolPort-020-086-176
Enamine: Z1142034221
Mcule: MCULE-5288002312
PubChem: 56803005...6 total

ref: mol2, SDF, SMILES, flexibase
3.13,6.81,-9.09,2,5,0, 317.433, 4
71880081
 
#15

eMolecules: 37021213
Molport: MolPort-020-086-176
Enamine: Z1142034221
Mcule: MCULE-5288002312
PubChem: 56803005...6 total

ref: mol2, SDF, SMILES, flexibase
3.13,6.8,-8.93,2,5,0, 317.433, 4
71880079
 
#16

eMolecules: 37021211
Molport: MolPort-020-086-175
Enamine: Z1142034187
Mcule: MCULE-7697566089
PubChem: 56803004...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,4.53,-10.72,3,6,0, 316.405, 5
71880076
 
#17

eMolecules: 37021211
Molport: MolPort-020-086-175
Enamine: Z1142034187
Mcule: MCULE-7697566089
PubChem: 56803004...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,4.52,-10.62,3,6,0, 316.405, 5
71880074
 
#18

eMolecules: 37021209
Molport: MolPort-020-086-174
Enamine: Z1142033729
Mcule: MCULE-6756475870
PubChem: 56803003...6 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.56,-12.32,3,5,0, 317.433, 3
4917937
 
#19

Molport: MolPort-023-219-562
KeyOrganics: SS-3337
Mcule: MCULE-5630589307
ChemDB: 5088911
PubChem: 11116210...11 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-3.27,-5.09,2,4,0, 148.158, 1

Similar to: 14962887, 14962891, 14962895, 14962898, 34596452, ... 6 in total.
71880073
 
#20

eMolecules: 37021209
Molport: MolPort-020-086-174
Enamine: Z1142033729
Mcule: MCULE-6756475870
PubChem: 56803003...6 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.52,-12.18,3,5,0, 317.433, 3
71880071
 
#21

eMolecules: 37021207
Molport: MolPort-020-086-173
Enamine: Z1142031074
Mcule: MCULE-9485295624
PubChem: 56803002...6 total

ref: mol2, SDF, SMILES, flexibase
2.69,8.54,-10.64,1,5,0, 331.46, 4
71880070
 
#22

eMolecules: 37021207
Molport: MolPort-020-086-173
Enamine: Z1142031074
Mcule: MCULE-9485295624
PubChem: 56803002...6 total

ref: mol2, SDF, SMILES, flexibase
2.69,8.52,-10.73,1,5,0, 331.46, 4
69810942
 
#23

eMolecules: 36697968
Molport: MolPort-020-086-170
Enamine: Z1142011792
Mcule: MCULE-5509571234
PubChem: 53607333...6 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.14,-12.18,2,6,0, 333.432, 5
mid: mol2, SDF, SMILES, flexibase
1.87,5.42,-46.46,3,6,1, 334.44, 5
69810940
 
#24

eMolecules: 36697968
Molport: MolPort-020-086-170
Enamine: Z1142011792
Mcule: MCULE-5509571234
PubChem: 53607333...6 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.11,-12.06,2,6,0, 333.432, 5
mid: mol2, SDF, SMILES, flexibase
1.87,5.38,-46.38,3,6,1, 334.44, 5
71880055
 
#25

eMolecules: 37021201
Molport: MolPort-020-086-169
Enamine: Z1142011318
Mcule: MCULE-9316074875
PubChem: 56802999...6 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.89,-8.93,2,5,0, 326.372, 4
71880054
 
#26

eMolecules: 37021201
Molport: MolPort-020-086-169
Enamine: Z1142011318
Mcule: MCULE-9316074875
PubChem: 56802999...6 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.94,-8.89,2,5,0, 326.372, 4
71880051
 
#27

eMolecules: 37021199
Molport: MolPort-020-086-168
Enamine: Z1142011313
Mcule: MCULE-4757853406
PubChem: 56802998...6 total

ref: mol2, SDF, SMILES, flexibase
1.97,2.61,-13.36,3,7,0, 330.335, 7
69698630
 
#28

eMolecules: 36697966
Molport: MolPort-020-086-167
Enamine: Z1142008580
Mcule: MCULE-4885660215
PubChem: 53595334...6 total

ref: mol2, SDF, SMILES, flexibase
1.40,4.11,-19.28,3,8,0, 348.403, 7
69585315
 
#29

eMolecules: 36356006
Molport: MolPort-020-086-163
Enamine: Z1141995160
Mcule: MCULE-2163731928
PubChem: 53583553...6 total

ref: mol2, SDF, SMILES, flexibase
1.82,6.34,-17.81,2,6,0, 325.368, 4
69533919
 
#30

eMolecules: 36356002
Molport: MolPort-020-086-162
Enamine: Z1141992945
Mcule: MCULE-1026036496
PubChem: 53577288...6 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.55,-24.25,3,8,0, 348.403, 7
69697069
 
#31

eMolecules: 36697952
Molport: MolPort-020-086-161
Enamine: Z1141990865
Mcule: MCULE-6131334371
PubChem: 53594831...6 total

ref: mol2, SDF, SMILES, flexibase
2.42,6.26,-15.45,2,7,0, 347.415, 5
69697066
 
#32

eMolecules: 36697952
Molport: MolPort-020-086-161
Enamine: Z1141990865
Mcule: MCULE-6131334371
PubChem: 53594831...6 total

ref: mol2, SDF, SMILES, flexibase
2.42,6.26,-15.62,2,7,0, 347.415, 5
69626245
 
#33

eMolecules: 36356000
Molport: MolPort-020-086-159
Enamine: Z1141989976
Mcule: MCULE-3982271904
PubChem: 53588714...6 total

ref: mol2, SDF, SMILES, flexibase
1.23,1.05,-18.48,3,7,0, 339.417, 5
69626241
 
#34

eMolecules: 36356000
Molport: MolPort-020-086-159
Enamine: Z1141989976
Mcule: MCULE-3982271904
Individual Suppliers: C69626241...7 total

ref: mol2, SDF, SMILES, flexibase
1.23,1.01,-14.54,3,7,0, 339.417, 5
69538901
 
#35

eMolecules: 36355996
Molport: MolPort-020-086-157
Enamine: Z1141988393
Mcule: MCULE-9045985243
PubChem: 53578561...6 total

ref: mol2, SDF, SMILES, flexibase
1.31,2.32,-18.56,2,6,0, 339.442, 4
69538897
 
#36

eMolecules: 36355996
Molport: MolPort-020-086-157
Enamine: Z1141988393
Mcule: MCULE-9045985243
PubChem: 53578561...6 total

ref: mol2, SDF, SMILES, flexibase
1.31,2.33,-18.49,2,6,0, 339.442, 4
72130934
 
#37

eMolecules: 43074027
Molport: MolPort-020-191-534
ChemBridge: 21898365
Mcule: MCULE-4906153609
PubChem: 56886208...6 total

ref: mol2, SDF, SMILES, flexibase
3.15,5.69,-9.62,2,6,0, 320.389, 6
69557778
 
#38

eMolecules: 36355994
Molport: MolPort-020-086-156
Enamine: Z1141988388
Mcule: MCULE-2155109511
PubChem: 53578800...6 total

ref: mol2, SDF, SMILES, flexibase
0.93,-0.07,-20.65,3,8,0, 343.405, 7
71523816
 
#39

eMolecules: 43074013
Molport: MolPort-020-191-530
ChemBridge: 21893933
Mcule: MCULE-4878203420
PubChem: 56863691...7 total

ref: mol2, SDF, SMILES, flexibase
2.02,7.09,-5.04,0,4,0, 275.274, 3
mid: mol2, SDF, SMILES, flexibase
2.02,7.58,-38.19,1,4,1, 276.282, 3
69811051
 
#40

eMolecules: 36697948
Molport: MolPort-020-086-154
Enamine: Z1141982265
Mcule: MCULE-7017654653
PubChem: 53607360...6 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.13,-16.31,2,6,0, 334.344, 4
71523813
 
#41

eMolecules: 43074013
Molport: MolPort-020-191-530
ChemBridge: 21893933
Mcule: MCULE-4878203420
PubChem: 56863691...7 total

ref: mol2, SDF, SMILES, flexibase
2.02,7.08,-5.01,0,4,0, 275.274, 3
mid: mol2, SDF, SMILES, flexibase
2.02,7.56,-38.15,1,4,1, 276.282, 3
71523803
 
#42

eMolecules: 43074003
Molport: MolPort-020-191-528
ChemBridge: 21888271
Mcule: MCULE-3249046749
Ambinter: Amb19675352...6 total

ref: mol2, SDF, SMILES, flexibase
3.96,9.64,-9,1,5,0, 355.482, 7
69811049
 
#43

eMolecules: 36697948
Molport: MolPort-020-086-154
Enamine: Z1141982265
Mcule: MCULE-7017654653
PubChem: 53607360...6 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.1,-16.41,2,6,0, 334.344, 4
71523799
 
#44

eMolecules: 43074003
Molport: MolPort-020-191-528
ChemBridge: 21888271
Mcule: MCULE-3249046749
Ambinter: Amb19675352...6 total

ref: mol2, SDF, SMILES, flexibase
3.96,9.63,-8.94,1,5,0, 355.482, 7
69491486
 
#45

eMolecules: 36355988
Molport: MolPort-020-086-153
Enamine: Z1141980777
Mcule: MCULE-8112999563
PubChem: 53571483...6 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.46,-10.21,2,6,0, 339.823, 3
71523789
 
#46

eMolecules: 43073993
Molport: MolPort-020-191-525
ChemBridge: 21877523
Mcule: MCULE-2341478978
PubChem: 56863686...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,8.51,-23.75,1,6,0, 359.385, 3
69491484
 
#47

eMolecules: 36355988
Molport: MolPort-020-086-153
Enamine: Z1141980777
Mcule: MCULE-8112999563
PubChem: 53571483...6 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.46,-10.16,2,6,0, 339.823, 3
71523787
 
#48

eMolecules: 43073993
Molport: MolPort-020-191-525
ChemBridge: 21877523
Mcule: MCULE-2341478978
PubChem: 56863686...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,8.6,-24.07,1,6,0, 359.385, 3
72130926
 
#49

eMolecules: 43073973
Molport: MolPort-020-191-518
ChemBridge: 21866686
Mcule: MCULE-3025892853
PubChem: 56886196...7 total

ref: mol2, SDF, SMILES, flexibase
1.18,6.78,-15.72,1,5,0, 296.374, 4
lo: mol2, SDF, SMILES, flexibase
1.18,7.28,-41.77,2,5,1, 297.382, 4
71523772
 
#50

eMolecules: 43073971
Molport: MolPort-020-191-517
ChemBridge: 21865706
Mcule: MCULE-8293703695
Individual Suppliers: 2-(4-fluorophenyl)-4-[3-(4-methyl-1H-pyrazol-1-yl)...8 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.95,-7.89,0,4,0, 303.381, 5
lo: mol2, SDF, SMILES, flexibase
2.65,9.23,-46.9,1,4,1, 304.389, 5
71523769
 
#51

eMolecules: 43073971
Molport: MolPort-020-191-517
ChemBridge: 21865706
Mcule: MCULE-8293703695
PubChem: 56863682...7 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.97,-7.95,0,4,0, 303.381, 5
lo: mol2, SDF, SMILES, flexibase
2.65,9.25,-46.73,1,4,1, 304.389, 5
72130925
 
#52

eMolecules: 43073967
Molport: MolPort-020-191-516
ChemBridge: 21864551
Mcule: MCULE-8854336155
PubChem: 56886195...7 total

ref: mol2, SDF, SMILES, flexibase
0.81,3.39,-22.75,1,8,0, 359.382, 3
69581657
 
#53

eMolecules: 36355978
Molport: MolPort-020-086-151
Enamine: Z1141970233
Mcule: MCULE-8661158567
PubChem: 53582857...7 total

ref: mol2, SDF, SMILES, flexibase
1.52,2.15,-11.11,2,6,0, 294.351, 9
mid: mol2, SDF, SMILES, flexibase
1.52,4.02,-47.19,3,6,1, 295.359, 9
72130924
 
#54

eMolecules: 43073967
Molport: MolPort-020-191-516
ChemBridge: 21864551
Mcule: MCULE-8854336155
PubChem: 56886195...7 total

ref: mol2, SDF, SMILES, flexibase
0.81,3.4,-24.13,1,8,0, 359.382, 3
71523764
 
#55

eMolecules: 43073963
Molport: MolPort-020-191-514
ChemBridge: 21862006
Mcule: MCULE-8195577010
PubChem: 56863681...7 total

ref: mol2, SDF, SMILES, flexibase
2.03,11.58,-14.14,0,7,0, 343.431, 6
71523762
 
#56

eMolecules: 43073963
Molport: MolPort-020-191-514
ChemBridge: 21862006
Mcule: MCULE-8195577010
PubChem: 56863681...7 total

ref: mol2, SDF, SMILES, flexibase
2.03,11.55,-14.38,0,7,0, 343.431, 6
72130919
 
#57

eMolecules: 43073953
Molport: MolPort-020-191-511
ChemBridge: 21856380
Mcule: MCULE-8771238206
PubChem: 56886191...6 total

ref: mol2, SDF, SMILES, flexibase
3.17,6.16,-9.86,1,6,0, 361.486, 5
mid: mol2, SDF, SMILES, flexibase
3.17,8.44,-36.63,2,6,1, 362.494, 5
69581655
 
#58

eMolecules: 36355978
Molport: MolPort-020-086-151
Enamine: Z1141970233
Mcule: MCULE-8661158567
PubChem: 53582857...7 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.83,-14.27,2,6,0, 294.351, 9
mid: mol2, SDF, SMILES, flexibase
1.52,3.7,-47.36,3,6,1, 295.359, 9
72130918
 
#59

eMolecules: 43073953
Molport: MolPort-020-191-511
ChemBridge: 21856380
Mcule: MCULE-8771238206
PubChem: 56886191...6 total

ref: mol2, SDF, SMILES, flexibase
3.17,6.13,-9.71,1,6,0, 361.486, 5
mid: mol2, SDF, SMILES, flexibase
3.17,8.43,-36.89,2,6,1, 362.494, 5
71523760
 
#60

eMolecules: 43073947
Molport: MolPort-020-191-509
ChemBridge: 21853990
Mcule: MCULE-9851909338
PubChem: 56863680...6 total

ref: mol2, SDF, SMILES, flexibase
2.58,6.26,-19.78,2,8,0, 345.366, 2
71523754
 
#61

eMolecules: 43073937
Molport: MolPort-020-191-504
ChemBridge: 21851711
Mcule: MCULE-6992160440
PubChem: 56863677...7 total

ref: mol2, SDF, SMILES, flexibase
3.80,9.08,-8.15,1,4,0, 310.323, 6
lo: mol2, SDF, SMILES, flexibase
3.80,9.65,-32.96,2,4,1, 311.331, 6
71523752
 
#62

eMolecules: 43073937
Molport: MolPort-020-191-504
ChemBridge: 21851711
Mcule: MCULE-6992160440
PubChem: 56863677...7 total

ref: mol2, SDF, SMILES, flexibase
3.80,9.05,-8.01,1,4,0, 310.323, 6
lo: mol2, SDF, SMILES, flexibase
3.80,9.56,-32.88,2,4,1, 311.331, 6
72130915
 
#63

eMolecules: 43073931
Molport: MolPort-020-191-502
ChemBridge: 21849133
Mcule: MCULE-8771276565
PubChem: 56886188...7 total

ref: mol2, SDF, SMILES, flexibase
1.85,5.42,-8.02,2,5,0, 307.401, 4
lo: mol2, SDF, SMILES, flexibase
1.85,7.72,-54.25,3,5,1, 308.409, 4
72130912
 
#64

eMolecules: 43073917
Molport: MolPort-020-191-499
ChemBridge: 21841359
Mcule: MCULE-5757167504
PubChem: 56886184...7 total

ref: mol2, SDF, SMILES, flexibase
0.57,3.87,-13.2,1,7,0, 314.374, 5
72130908
 
#65

eMolecules: 43073901
Molport: MolPort-020-191-495
ChemBridge: 21833142
Mcule: MCULE-3481130159
Ambinter: Amb19714054...6 total

ref: mol2, SDF, SMILES, flexibase
3.73,6.75,-11.03,3,5,0, 350.809, 4
hi: mol2, SDF, SMILES, flexibase
3.73,7.51,-45.72,2,5,-1, 349.801, 4
lo: mol2, SDF, SMILES, flexibase
3.73,7.2,-34.84,4,5,1, 351.817, 4
71523727
 
#66

eMolecules: 43073881
Molport: MolPort-020-191-491
ChemBridge: 21819004
Mcule: MCULE-7929580410
PubChem: 56863669...7 total

ref: mol2, SDF, SMILES, flexibase
2.21,4.79,-8.69,1,5,0, 339.486, 7
hi: mol2, SDF, SMILES, flexibase
2.21,4.38,-44.02,0,5,-1, 338.478, 7
69587482
 
#67

eMolecules: 36355976
Molport: MolPort-020-086-150
Enamine: Z1141970228
Mcule: MCULE-5462183536
PubChem: 53583913...6 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-0.72,-15.24,2,8,0, 270.337, 9
mid: mol2, SDF, SMILES, flexibase
-0.29,1.17,-48.68,3,8,1, 271.345, 9
69587478
 
#68

eMolecules: 36355976
Molport: MolPort-020-086-150
Enamine: Z1141970228
Mcule: MCULE-5462183536
PubChem: 53583913...6 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-1.15,-12.04,2,8,0, 270.337, 9
mid: mol2, SDF, SMILES, flexibase
-0.29,1.12,-40.92,3,8,1, 271.345, 9
72130901
 
#69

eMolecules: 43073873
Molport: MolPort-020-191-488
ChemBridge: 21814671
Mcule: MCULE-8291652288
PubChem: 56886175...6 total

ref: mol2, SDF, SMILES, flexibase
1.36,0.78,-16.29,2,6,0, 330.384, 4
71790428
 
#70

eMolecules: 37021193
Molport: MolPort-020-086-149
Enamine: Z1141967144
Enamine Building Blocks: EN300-93591
Mcule: MCULE-9065795782...13 total

ref: mol2, SDF, SMILES, flexibase
-0.04,0.32,-5.19,0,3,0, 126.159, 0
71790427
 
#71

eMolecules: 37021193
Molport: MolPort-020-086-149
Enamine: Z1141967144
Enamine Building Blocks: EN300-93591
Mcule: MCULE-9065795782...13 total

ref: mol2, SDF, SMILES, flexibase
-0.04,0.32,-5.18,0,3,0, 126.159, 0
71383302
 
#72

eMolecules: 36789734
Molport: MolPort-020-086-148
Enamine: Z1141967107
Enamine Building Blocks: EN300-78699
Mcule: MCULE-5603113889...10 total

ref: mol2, SDF, SMILES, flexibase
0.34,1.11,-4.94,0,3,0, 140.186, 1
72130899
 
#73

eMolecules: 43073861
Molport: MolPort-020-191-486
ChemBridge: 21808415
Mcule: MCULE-3392976319
PubChem: 56886170...7 total

ref: mol2, SDF, SMILES, flexibase
1.71,6.44,-12.82,0,6,0, 354.454, 5
mid: mol2, SDF, SMILES, flexibase
1.71,8.68,-51.12,1,6,1, 355.462, 5
71383301
 
#74

eMolecules: 36789734
Molport: MolPort-020-086-148
Enamine: Z1141967107
Enamine Building Blocks: EN300-78699
Mcule: MCULE-5603113889...10 total

ref: mol2, SDF, SMILES, flexibase
0.34,1.11,-4.94,0,3,0, 140.186, 1
71880011
 
#75

eMolecules: 37021191
Molport: MolPort-020-086-145
Enamine: Z1141895259
Mcule: MCULE-3626009829
PubChem: 56802995...6 total

ref: mol2, SDF, SMILES, flexibase
1.41,8.33,-17.62,1,8,0, 347.371, 8
71880009
 
#76

eMolecules: 37021191
Molport: MolPort-020-086-145
Enamine: Z1141895259
Mcule: MCULE-3626009829
PubChem: 56802995...6 total

ref: mol2, SDF, SMILES, flexibase
1.41,8.21,-17.08,1,8,0, 347.371, 8
70018533
 
#77

eMolecules: 36697932
Molport: MolPort-020-086-143
Enamine: Z1141417039
Mcule: MCULE-7949790679
PubChem: 53625342...6 total

ref: mol2, SDF, SMILES, flexibase
0.88,0.87,-13.37,4,7,0, 291.307, 4
hi: mol2, SDF, SMILES, flexibase
0.88,1.87,-55.57,3,7,-1, 290.299, 4
69590841
 
#78

eMolecules: 36355952
Molport: MolPort-020-086-142
Enamine: Z1141390288
Mcule: MCULE-3052058484
PubChem: 53584478...6 total

ref: mol2, SDF, SMILES, flexibase
0.82,3.65,-14.95,3,9,0, 336.396, 7
69892985
 
#79

eMolecules: 36697928
Molport: MolPort-020-086-138
Enamine: Z1141340181
Mcule: MCULE-4965944422
PubChem: 53614542...6 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.83,-13.85,3,6,0, 341.408, 6
69892984
 
#80

eMolecules: 36697928
Molport: MolPort-020-086-138
Enamine: Z1141340181
Mcule: MCULE-4965944422
PubChem: 53614542...6 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.83,-13.86,3,6,0, 341.408, 6
69600077
 
#81

eMolecules: 36355938
Molport: MolPort-020-086-135
Enamine: Z1141331080
Mcule: MCULE-6091042344
PubChem: 53586108...6 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.07,-18.05,4,6,0, 345.374, 7
69655849
 
#82

eMolecules: 36355934
Molport: MolPort-020-086-134
Enamine: Z1141329305
Mcule: MCULE-9933752336
PubChem: 53591785...6 total

ref: mol2, SDF, SMILES, flexibase
1.55,1.76,-12.2,2,6,0, 325.384, 7
mid: mol2, SDF, SMILES, flexibase
1.55,4.03,-47.01,3,6,1, 326.392, 7
69566355
 
#83

eMolecules: 36355926
Molport: MolPort-020-086-133
Enamine: Z1141325664
Mcule: MCULE-3645128837
PubChem: 53580753...6 total

ref: mol2, SDF, SMILES, flexibase
0.65,-1.9,-14.39,4,7,0, 346.459, 5
10109532
 
#84

eMolecules: 11831243
Molport: MolPort-005-794-630
Enamine: Z96002828
Mcule: MCULE-4602763134
PubChem: 16375546...8 total

ref: mol2, SDF, SMILES, flexibase
4.16,0,-18.93,1,7,0, 471.557, 6

Similar to: 10109533, 10109534, 10109531,
69566351
 
#85

eMolecules: 36355926
Molport: MolPort-020-086-133
Enamine: Z1141325664
Mcule: MCULE-3645128837
PubChem: 53580753...6 total

ref: mol2, SDF, SMILES, flexibase
0.65,-1.89,-14.39,4,7,0, 346.459, 5
69900626
 
#86

eMolecules: 36697910
Molport: MolPort-020-086-132
Enamine: Z1141319199
Mcule: MCULE-4446026212
PubChem: 53616374...6 total

ref: mol2, SDF, SMILES, flexibase
2.70,5.25,-20.42,2,7,0, 333.388, 6
69777657
 
#87

eMolecules: 36697904
Molport: MolPort-020-086-130
Enamine: Z1141317847
Mcule: MCULE-8881743289
PubChem: 53605265...6 total

ref: mol2, SDF, SMILES, flexibase
2.00,3.05,-18.93,2,6,0, 334.397, 6
69566959
 
#88

eMolecules: 36355922
Molport: MolPort-020-086-129
Enamine: Z1141317811
Mcule: MCULE-3629500715
PubChem: 53580879...6 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.29,-19.15,2,7,0, 335.385, 6
lo: mol2, SDF, SMILES, flexibase
0.92,1.75,-48.89,3,7,1, 336.393, 6
69877166
 
#89

eMolecules: 36697902
Molport: MolPort-020-086-128
Enamine: Z1141317590
Mcule: MCULE-8513010085
PubChem: 53613870...6 total

ref: mol2, SDF, SMILES, flexibase
0.66,1.04,-17.74,2,6,0, 298.364, 6
69813365
 
#90

eMolecules: 36697900
Molport: MolPort-020-086-127
Enamine: Z1141311357
Mcule: MCULE-4089428701
PubChem: 53608078...6 total

ref: mol2, SDF, SMILES, flexibase
0.82,3.38,-16.62,2,7,0, 305.334, 6
69847864
 
#91

eMolecules: 36697892
Molport: MolPort-020-086-123
Enamine: Z1141276427
Mcule: MCULE-6143155935
PubChem: 53611872...7 total

ref: mol2, SDF, SMILES, flexibase
0.90,0.17,-19.37,1,6,0, 321.42, 8
69510455
 
#92

eMolecules: 36355906
Molport: MolPort-020-086-121
Enamine: Z1141267153
Mcule: MCULE-2083482931
PubChem: 53572864...7 total

ref: mol2, SDF, SMILES, flexibase
1.29,0.53,-12.19,2,7,0, 330.406, 8
69510451
 
#93

eMolecules: 36355906
Molport: MolPort-020-086-121
Enamine: Z1141267153
Mcule: MCULE-2083482931
PubChem: 53572864...7 total

ref: mol2, SDF, SMILES, flexibase
1.29,0.03,-14.99,2,7,0, 330.406, 8
10109531
 
#94

eMolecules: 11831243
Molport: MolPort-005-794-630
Enamine: Z96002828
Mcule: MCULE-4602763134
PubChem: 41367931...8 total

ref: mol2, SDF, SMILES, flexibase
4.16,-0.05,-17.38,1,7,0, 471.557, 6

Similar to: 10109532, 10109533, 10109534, 21630970, 21630977, ... 7 in total.
72130898
 
#95

eMolecules: 43073859
Molport: MolPort-020-191-485
ChemBridge: 21807066
Mcule: MCULE-9553334054
PubChem: 56886169...6 total

ref: mol2, SDF, SMILES, flexibase
0.71,8.79,-16.66,1,8,0, 300.37, 6
71879601
 
#96

Molport: MolPort-020-086-116
Enamine: Z1140646091
Mcule: MCULE-2748108135
PubChem: 56802986
Ambinter: Amb19327741...6 total

ref: mol2, SDF, SMILES, flexibase
1.54,1.69,-10.48,3,6,0, 329.448, 5
mid: mol2, SDF, SMILES, flexibase
1.54,2.2,-26.77,4,6,1, 330.456, 5
mid: mol2, SDF, SMILES, flexibase
1.54,3.86,-35.35,4,6,1, 330.456, 5
lo: mol2, SDF, SMILES, flexibase
1.54,4.36,-74.95,5,6,2, 331.464, 5
71879599
 
#97

Molport: MolPort-020-086-116
Enamine: Z1140646091
Mcule: MCULE-2748108135
PubChem: 56802986
Ambinter: Amb19327741...6 total

ref: mol2, SDF, SMILES, flexibase
1.54,1.33,-10.65,3,6,0, 329.448, 5
mid: mol2, SDF, SMILES, flexibase
1.54,1.64,-26.92,4,6,1, 330.456, 5
mid: mol2, SDF, SMILES, flexibase
1.54,3.51,-36.03,4,6,1, 330.456, 5
lo: mol2, SDF, SMILES, flexibase
1.54,3.82,-77.79,5,6,2, 331.464, 5
69626341
 
#98

eMolecules: 36355794
Molport: MolPort-020-086-111
Enamine: Z1140396246
Mcule: MCULE-4976964385
PubChem: 53588730...7 total

ref: mol2, SDF, SMILES, flexibase
0.32,6.67,-24.08,0,8,0, 346.387, 6
mid: mol2, SDF, SMILES, flexibase
0.32,8.89,-60.79,1,8,1, 347.395, 6
mid: mol2, SDF, SMILES, flexibase
0.32,6.79,-43.41,1,8,1, 347.395, 6
70040222
 
#99

eMolecules: 36697778
Molport: MolPort-020-086-109
Enamine: Z1140391889
Mcule: MCULE-4479762234
PubChem: 53627007...7 total

ref: mol2, SDF, SMILES, flexibase
0.14,1.64,-14.16,3,7,0, 310.741, 4
69702261
 
#100

eMolecules: 36697768
Molport: MolPort-020-086-108
Enamine: Z1140388120
Mcule: MCULE-5263020653
PubChem: 53596518...7 total

ref: mol2, SDF, SMILES, flexibase
0.87,3.22,-17.53,0,7,0, 342.417, 5

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 = 385 ) limit 0,100

Smiles were