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

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76945817
 
#1

Apollo Scientific Bioactives: BIB3012
76945800
 
#2

Apollo Scientific Bioactives: BIX7109
76945794
 
#3

Apollo Scientific Bioactives: BIX1004
Sigma Aldrich (BB, Depleted): 227854|ALDRICH, 52097|FLUKA, 398187|SIGMA-ALDRICH, 33825|FLUKA, V000470|VETEC
ref: mol2, SDF, SMILES, flexibase
-2.65,9.48,-231.62,3,15,-3, 669.641, 14
mid: mol2, SDF, SMILES, flexibase
-2.65,10.98,-138.25,4,15,-2, 670.649, 14
76945783
 
#4

Apollo Scientific Bioactives: BIW4202
ref: mol2, SDF, SMILES, flexibase
3.86,6.1,-20.06,2,6,0, 470.606, 3
hi: mol2, SDF, SMILES, flexibase
3.86,6.66,-70.86,1,6,-1, 469.598, 3
76945778
 
#5

Apollo Scientific Bioactives: BIW4202
ref: mol2, SDF, SMILES, flexibase
3.86,6.01,-20.42,2,6,0, 470.606, 3
hi: mol2, SDF, SMILES, flexibase
3.86,6.56,-23.67,1,6,0, 469.598, 3
76945775
 
#6

Apollo Scientific Bioactives: BIW4202
ref: mol2, SDF, SMILES, flexibase
3.86,5.95,-20.11,2,6,0, 470.606, 3
hi: mol2, SDF, SMILES, flexibase
3.86,6.51,-71.49,1,6,-1, 469.598, 3
76945773
 
#7

Apollo Scientific Bioactives: BIW4202
ref: mol2, SDF, SMILES, flexibase
3.86,6.05,-17.77,2,6,0, 470.606, 3
hi: mol2, SDF, SMILES, flexibase
3.86,6.6,-68.42,1,6,-1, 469.598, 3
76945770
 
#8

Apollo Scientific Bioactives: BITP1228
Sigma Aldrich (Building Blocks): O8137|SIGMA
ChEMBL19: CHEMBL2397332
ChemDB: 6694044
Collaborative Drug Discovery: 1014425...7 total

ref: mol2, SDF, SMILES, flexibase
7.19,14.46,-45.24,0,2,-1, 279.444, 13
lo: mol2, SDF, SMILES, flexibase
7.19,12.48,-7.46,1,2,0, 280.452, 13
76945767
 
#9

Apollo Scientific Bioactives: BITH3057
ref: mol2, SDF, SMILES, flexibase
-4.95,1.19,-212.39,16,18,1, 680.784, 22
mid: mol2, SDF, SMILES, flexibase
-4.95,0.91,-144.3,15,18,0, 679.776, 22
hi: mol2, SDF, SMILES, flexibase
-4.89,0.77,-144.14,15,18,0, 679.776, 23
lo: mol2, SDF, SMILES, flexibase
-4.89,-0.85,-197.8,17,18,2, 681.792, 23
lo: mol2, SDF, SMILES, flexibase
-4.95,-0.8,-198.66,17,18,2, 681.792, 22
76945764
 
#10

Apollo Scientific Bioactives: BITH3027
ref: mol2, SDF, SMILES, flexibase
6.12,10.05,-4.28,1,3,0, 416.646, 0
76945759
 
#11

Apollo Scientific Bioactives: BITH3027
ref: mol2, SDF, SMILES, flexibase
6.12,10.38,-3.68,1,3,0, 416.646, 0
76945755
 
#12

Apollo Scientific Bioactives: BIT4520
ref: mol2, SDF, SMILES, flexibase
4.99,15.38,-15.92,2,12,0, 650.762, 17
76945751
 
#13

Apollo Scientific Bioactives: BIT4520
ref: mol2, SDF, SMILES, flexibase
4.99,15.17,-22.19,2,12,0, 650.762, 17
76945744
 
#14

Apollo Scientific Bioactives: BIT4001
PubChem: 59409939
ref: mol2, SDF, SMILES, flexibase
5.77,14.95,-10.47,1,6,0, 540.656, 13
76945741
 
#15

Apollo Scientific Bioactives: BIT3044
PubChem: 45933586
ref: mol2, SDF, SMILES, flexibase
1.04,7.7,-44.77,1,12,-1, 299.175, 7
29130731
 
#16

Apollo Scientific Bioactives: BIT3025
Sigma Aldrich (Building Blocks): 88190|SIGMA, 09972|SIGMA
ChEBI: CHEBI:75198
ChEMBL19: CHEMBL404862, CHEMBL1185286
Sigma Aldrich (BB, Depleted): T4375|SIGMA-ALDRICH...8 total

ref: mol2, SDF, SMILES, flexibase
1.30,20.41,-64.94,0,10,2, 656.75, 9
76945734
 
#17

Apollo Scientific Bioactives: BIT1007
ref: mol2, SDF, SMILES, flexibase
7.08,15.83,-13.43,0,9,0, 579.525, 13
76945729
 
#18

Apollo Scientific Bioactives: BIT0802
ref: mol2, SDF, SMILES, flexibase
-5.70,-17.79,-420.49,20,14,5, 472.56, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-18.16,-296.79,19,14,4, 471.552, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-18.15,-308.74,19,14,4, 471.552, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-18.86,-113.02,17,14,2, 469.536, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-18.85,-104.02,17,14,2, 469.536, 6
76945726
 
#19

Apollo Scientific Bioactives: BIT0153
ref: mol2, SDF, SMILES, flexibase
-5.70,-15.08,-456.49,20,14,5, 472.56, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-15.45,-324.66,19,14,4, 471.552, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-15.57,-314.25,19,14,4, 471.552, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-16.29,-104.88,17,14,2, 469.536, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-17.99,-95.18,17,14,2, 469.536, 6
76945723
 
#20

Apollo Scientific Bioactives: BIS0148
ref: mol2, SDF, SMILES, flexibase
-5.28,-16.17,-166.68,19,19,3, 584.604, 11
mid: mol2, SDF, SMILES, flexibase
-5.28,-17.17,-91.46,18,19,2, 583.596, 11

Similar to: 8101190,
76945716
 
#21

Apollo Scientific Bioactives: BIS0104
PubChem: 53442213, 45933582, 53423797
ref: mol2, SDF, SMILES, flexibase
4.05,12.74,-45.12,0,8,-1, 458.597, 18
76945709
 
#22

Apollo Scientific Bioactives: BIPA125
PubChem: 10162222, 57696056
ref: mol2, SDF, SMILES, flexibase
-0.09,1.31,-55.64,2,14,-1, 468.424, 11
hi: mol2, SDF, SMILES, flexibase
-0.09,2.34,-103.07,1,14,-2, 467.416, 11
hi: mol2, SDF, SMILES, flexibase
-0.09,2.34,-107.58,1,14,-2, 467.416, 11
76945701
 
#23

Apollo Scientific Bioactives: BIPA115
PubChem: 10199891
ref: mol2, SDF, SMILES, flexibase
-0.33,3.48,-52.26,0,11,-1, 381.346, 8
76945694
 
#24

Apollo Scientific Bioactives: BIPA113
ref: mol2, SDF, SMILES, flexibase
-0.54,9.25,-65.62,1,17,-1, 670.68, 17
76945689
 
#25

Apollo Scientific Bioactives: BIPA112
ChemDB: 7626905
PubChem: 128116
ref: mol2, SDF, SMILES, flexibase
-0.10,5.51,-48.58,0,11,-1, 431.453, 9
76945681
 
#26

Apollo Scientific Bioactives: BIPA111
PubChem: 3035982, 44120105, 130717
ref: mol2, SDF, SMILES, flexibase
-0.93,5.94,-61.94,1,16,-1, 547.529, 13
76945678
 
#27

Apollo Scientific Bioactives: BIPA110
Sigma Aldrich (Building Blocks): A3282|SIGMA
ChemDB: 6680573
PubChem: 3080866
Sigma Aldrich (BB, Depleted): 11549|FLUKA...5 total

ref: mol2, SDF, SMILES, flexibase
2.27,5.79,-25.45,0,11,0, 305.206, 5
76945669
 
#28

Apollo Scientific Bioactives: BIPA109
PubChem: 3035866
ref: mol2, SDF, SMILES, flexibase
0.00,3.75,-58.38,1,15,-1, 469.412, 12
76945664
 
#29

Apollo Scientific Bioactives: BIPA107
PubChem: 10290999
ref: mol2, SDF, SMILES, flexibase
-0.99,1.11,-49.37,0,11,-1, 339.265, 5
76945662
 
#30

Apollo Scientific Bioactives: BIPA106
ChemDB: 5235229
PubChem: 122153
ref: mol2, SDF, SMILES, flexibase
2.21,5.1,-16.9,0,8,0, 260.209, 4
76945656
 
#31

Apollo Scientific Bioactives: BIP0695
PubChem: 3035428
ref: mol2, SDF, SMILES, flexibase
3.61,5.23,-66.24,5,13,1, 534.667, 16
76945645
 
#32

Apollo Scientific Bioactives: BIO0530
ref: mol2, SDF, SMILES, flexibase
8.38,14.92,-47.32,1,4,-1, 474.731, 19
76945641
 
#33

eMolecules: 530338
Alfa-Aesar: L10896
Apollo Scientific Bioactives: BIN0442
BioSynth: N-4600
Chembo Pharma: KB-242930...10 total

ref: mol2, SDF, SMILES, flexibase
8.55,17.36,-7.88,0,5,0, 377.525, 17
76945639
 
#34

Apollo Scientific Bioactives: BIN0440
BioSynth: N-4560
Chembo Pharma: KB-242932
Sigma Aldrich (Building Blocks): 70124|SIGMA
ChemDB: 5781216...6 total

ref: mol2, SDF, SMILES, flexibase
7.73,15.8,-7.93,0,5,0, 349.471, 15
76945635
 
#35

Apollo Scientific Bioactives: BIN0420
ChemDB: 7639590
PubChem: 152268, 10399363
ref: mol2, SDF, SMILES, flexibase
2.75,6.91,-40.08,0,5,-1, 232.624, 3
76945632
 
#36

Apollo Scientific Bioactives: BIN0394
BindingDB.org: 50423645
ChEMBL DrugStore: CHEMBL1237121
ChEMBL19: CHEMBL1237095, CHEMBL1237121
PubChem: 57940280...6 total

ref: mol2, SDF, SMILES, flexibase
3.93,3.91,-58.66,5,13,-1, 611.624, 9
lo: mol2, SDF, SMILES, flexibase
3.93,3.54,-28.67,6,13,0, 612.632, 9
76945626
 
#37

Apollo Scientific Bioactives: BIN0112
ref: mol2, SDF, SMILES, flexibase
5.87,12.56,-68.2,2,11,-1, 723.965, 9
76945621
 
#38

Apollo Scientific Bioactives: BIN0112
ref: mol2, SDF, SMILES, flexibase
5.87,12.04,-62.8,2,11,-1, 723.965, 9
76945620
 
#39

Apollo Scientific Bioactives: BIN0112
ref: mol2, SDF, SMILES, flexibase
5.87,12.91,-59.16,2,11,-1, 723.965, 9
76945616
 
#40

Apollo Scientific Bioactives: BIN0112
ref: mol2, SDF, SMILES, flexibase
5.87,13.17,-60.09,2,11,-1, 723.965, 9
76945611
 
#41

Apollo Scientific Bioactives: BIMI7332
ref: mol2, SDF, SMILES, flexibase
0.21,4.44,-58.37,7,14,-1, 642.815, 20
76945610
 
#42

Apollo Scientific Bioactives: BIMI7332
ref: mol2, SDF, SMILES, flexibase
0.21,4.37,-58.34,7,14,-1, 642.815, 20
76945606
 
#43

Apollo Scientific Bioactives: BIMI7332
ref: mol2, SDF, SMILES, flexibase
0.21,3.78,-57.83,7,14,-1, 642.815, 20
76945602
 
#44

Apollo Scientific Bioactives: BIMI6643
ref: mol2, SDF, SMILES, flexibase
1.29,4.78,-54.12,7,14,-1, 670.869, 21
76945597
 
#45

Apollo Scientific Bioactives: BIMI6643
ref: mol2, SDF, SMILES, flexibase
1.29,5.41,-56.37,7,14,-1, 670.869, 21
76945593
 
#46

Apollo Scientific Bioactives: BIMI6643
ref: mol2, SDF, SMILES, flexibase
1.29,5.26,-54.52,7,14,-1, 670.869, 21
76945591
 
#47

Apollo Scientific Bioactives: BIMI6643
ref: mol2, SDF, SMILES, flexibase
1.29,5.43,-57.51,7,14,-1, 670.869, 21
76945588
 
#48

Apollo Scientific Bioactives: BIMI2205
ref: mol2, SDF, SMILES, flexibase
1.82,7.32,-58.45,7,14,-1, 684.896, 22
76945585
 
#49

Apollo Scientific Bioactives: BIMI2205
ref: mol2, SDF, SMILES, flexibase
1.82,6.4,-56.25,7,14,-1, 684.896, 22
76945583
 
#50

Apollo Scientific Bioactives: BIMI2205
ref: mol2, SDF, SMILES, flexibase
1.82,6.34,-56.48,7,14,-1, 684.896, 22
76945579
 
#51

Apollo Scientific Bioactives: BIMI2205
ref: mol2, SDF, SMILES, flexibase
1.82,5.9,-56.2,7,14,-1, 684.896, 22
26002910
 
#52

Apollo Scientific Bioactives: BIMI0549
BindingDB.org: 50006118
ref: mol2, SDF, SMILES, flexibase
-1.75,-0.67,-105.35,7,13,-1, 542.502, 11
hi: mol2, SDF, SMILES, flexibase
-1.75,-0.92,-147.54,6,13,-2, 541.494, 11

Similar to: 26482158, 26482166, 4228280, 4475339, ... 4 in total.
26670137
 
#53

Apollo Scientific Bioactives: BIMI0549
BindingDB.org: 50442256
ChEMBL19: CHEMBL3040712, CHEMBL2442111
Leadscope via PubChem: LS-158132
PubChem: 65400...6 total

ref: mol2, SDF, SMILES, flexibase
-1.75,0.9,-115.53,6,13,-2, 541.494, 11
2569711
 
#54

Apollo Scientific Bioactives: BIMB2110
BioSynth: B-7102
Chembo Pharma: KB-245225
Sigma Aldrich (Building Blocks): 53451|SIGMA
PubChem: 69681362...6 total

ref: mol2, SDF, SMILES, flexibase
6.28,11.26,-5.62,1,3,0, 372.69, 8
76945567
 
#55

Apollo Scientific Bioactives: BIMB1375
ref: mol2, SDF, SMILES, flexibase
1.97,-0.75,-7.99,4,5,0, 308.44, 9
76945564
 
#56

Apollo Scientific Bioactives: BIMB1085
ref: mol2, SDF, SMILES, flexibase
-3.13,3.93,-62.88,4,9,0, 614.89, 12
76945561
 
#57

Apollo Scientific Bioactives: BIMB1085
ref: mol2, SDF, SMILES, flexibase
-3.13,3.97,-64.53,4,9,0, 614.89, 12
76945557
 
#58

Apollo Scientific Bioactives: BIMB1085
ref: mol2, SDF, SMILES, flexibase
-3.13,4.43,-64.01,4,9,0, 614.89, 12
76945549
 
#59

Apollo Scientific Bioactives: BIMB1085
ref: mol2, SDF, SMILES, flexibase
-3.13,4.39,-62.1,4,9,0, 614.89, 12
76945547
 
#60

Apollo Scientific Bioactives: BIMB1075
PubChem: 67412372
ref: mol2, SDF, SMILES, flexibase
1.43,-1.97,-8.9,4,6,0, 292.372, 9
2169112
 
#61

eMolecules: 1181015
Apollo Scientific Bioactives: BIM2046
BioSynth: M-5744
Vitas-M: STK624482
ChemDB: 4558432...6 total

ref: mol2, SDF, SMILES, flexibase
5.67,13.25,-13.17,0,4,0, 316.397, 9
76945534
 
#62

Apollo Scientific Bioactives: BIM1429
ref: mol2, SDF, SMILES, flexibase
1.42,-1.15,-11.23,4,8,0, 335.397, 10
76945528
 
#63

Alfa-Aesar: L15178
Apollo Scientific Bioactives: BIM112
Sigma Aldrich (Building Blocks): 284025|ALDRICH
ChemDB: 5756730
PubChem: 58426056...8 total

ref: mol2, SDF, SMILES, flexibase
-2.06,4.6,-68.3,1,11,0, 357.319, 8
hi: mol2, SDF, SMILES, flexibase
-2.06,2.67,-56.9,0,11,-1, 356.311, 8
76945525
 
#64

Apollo Scientific Bioactives: BIM1092
BioSynth: M-5535, M-5746
ChemDB: 6047106
PubChem: 6030694, 87585
Sigma Aldrich (BB, Depleted): M4903|SIGMA...7 total

ref: mol2, SDF, SMILES, flexibase
9.01,20.12,-13.23,0,4,0, 440.624, 17
76945521
 
#65

Apollo Scientific Bioactives: BIM1091
ref: mol2, SDF, SMILES, flexibase
-1.82,-9.04,-22.57,7,13,0, 500.453, 6
76945514
 
#66

Apollo Scientific Bioactives: BIM109
PubChem: 44120042
ref: mol2, SDF, SMILES, flexibase
1.50,10.03,-54.99,0,11,-1, 582.607, 13
76945509
 
#67

Apollo Scientific Bioactives: BIM107
BioSynth: J-100003
Sigma Aldrich (Building Blocks): 08450|SIGMA
ChemDB: 6680138
PubChem: 3516917...5 total

ref: mol2, SDF, SMILES, flexibase
0.46,7.94,-30.05,2,8,0, 330.296, 4
2516005
 
#68

Apollo Scientific Bioactives: BIM103
Chembo Pharma: KB-217648
ChemDB: 7626686
IBM Patent Data: 136098997
PubChem: 127857...5 total

ref: mol2, SDF, SMILES, flexibase
-3.77,0.42,-50.25,0,8,-1, 236.181, 3
76945503
 
#69

Apollo Scientific Bioactives: BIM103
Chembo Pharma: KB-217648
ChemDB: 7626686
IBM Patent Data: 136098997
PubChem: 127857...5 total

ref: mol2, SDF, SMILES, flexibase
-3.77,0.43,-45.95,0,8,-1, 236.181, 3
76945500
 
#70

Apollo Scientific Bioactives: BIM0431
ref: mol2, SDF, SMILES, flexibase
0.18,0.4,-63.25,5,13,-1, 517.419, 8
76945494
 
#71

Apollo Scientific Bioactives: BIM0231
ref: mol2, SDF, SMILES, flexibase
0.67,2.76,-63.57,4,12,-1, 501.42, 8
17653656
 
#72

Apollo Scientific Bioactives: BIM0133
ChEMBL12: CHEMBL1354559
ChEMBL19: CHEMBL1354559
Individual Suppliers: UNNAMED00000247
PubChem: 15560564...5 total

ref: mol2, SDF, SMILES, flexibase
-1.23,-4.25,-11.42,4,9,0, 334.332, 4
mid: mol2, SDF, SMILES, flexibase
-1.23,-3.22,-54.26,5,9,1, 335.34, 4
mid: mol2, SDF, SMILES, flexibase
-1.23,-4.26,-10.22,4,9,0, 334.332, 4

Similar to: 38795283, 42784652, 44247314,
76945490
 
#73

Apollo Scientific Bioactives: BIL2101
ref: mol2, SDF, SMILES, flexibase
5.14,17.86,-59.06,1,6,-1, 539.733, 15
lo: mol2, SDF, SMILES, flexibase
5.14,15.84,-18.3,2,6,0, 540.741, 15
76945485
 
#74

Apollo Scientific Bioactives: BIL2101
ref: mol2, SDF, SMILES, flexibase
5.14,17.88,-60.18,1,6,-1, 539.733, 15
lo: mol2, SDF, SMILES, flexibase
5.14,15.86,-18.66,2,6,0, 540.741, 15
76945482
 
#75

Apollo Scientific Bioactives: BIL2101
PubChem: 57459335
Tocris (depleted): 90805, http://www.tocris.com/dispprod.php?ItemId=90805
ref: mol2, SDF, SMILES, flexibase
5.14,17.74,-58.75,1,6,-1, 539.733, 15
lo: mol2, SDF, SMILES, flexibase
5.14,15.71,-18.21,2,6,0, 540.741, 15
76945477
 
#76

Apollo Scientific Bioactives: BIL2101
ref: mol2, SDF, SMILES, flexibase
5.14,17.76,-61.05,1,6,-1, 539.733, 15
lo: mol2, SDF, SMILES, flexibase
5.14,15.74,-18.82,2,6,0, 540.741, 15
76945473
 
#77

Apollo Scientific Bioactives: BIK0126
ref: mol2, SDF, SMILES, flexibase
-5.70,-21.26,-297.31,19,15,4, 488.535, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-21.66,-218.18,18,15,3, 487.527, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-21.9,-104.24,17,15,2, 486.519, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-21.9,-122.16,17,15,2, 486.519, 6
76945469
 
#78

Apollo Scientific Bioactives: BII7024
IBM Patent Data: 136208030
PubChem: 10188128
ref: mol2, SDF, SMILES, flexibase
5.02,11.9,-20.17,1,7,0, 569.399, 4
76945466
 
#79

Apollo Scientific Bioactives: BII7022
PubChem: 9827862
Sigma Aldrich (BB, Depleted): 444839|ALDRICH
ref: mol2, SDF, SMILES, flexibase
4.08,7.88,-63.83,2,7,-1, 514.251, 4
hi: mol2, SDF, SMILES, flexibase
4.08,7.78,-111.76,1,7,-2, 513.243, 4
76945462
 
#80

Apollo Scientific Bioactives: BII107
PubChem: 44120026
ref: mol2, SDF, SMILES, flexibase
-2.52,0.51,-52.51,1,9,-1, 314.251, 4
hi: mol2, SDF, SMILES, flexibase
-2.52,1.29,-95.15,0,9,-2, 313.243, 4
2565924
 
#81

Apollo Scientific Bioactives: BII107
PubChem: 44120026
ref: mol2, SDF, SMILES, flexibase
-2.52,0.51,-47.81,1,9,-1, 314.251, 4
hi: mol2, SDF, SMILES, flexibase
-2.52,1.29,-89.29,0,9,-2, 313.243, 4
76945456
 
#82

Apollo Scientific Bioactives: BII103
ChemDB: 7627877
PubChem: 129260, 44120024, 59008649
ref: mol2, SDF, SMILES, flexibase
-2.13,2.14,-50.36,1,9,-1, 342.305, 6
2555349
 
#83

Apollo Scientific Bioactives: BII103
ChemDB: 7627877
PubChem: 129260, 44120024, 59008649
ref: mol2, SDF, SMILES, flexibase
-2.13,2.15,-46.61,1,9,-1, 342.305, 6
76945442
 
#84

Apollo Scientific Bioactives: BII0421
ref: mol2, SDF, SMILES, flexibase
3.91,17.29,-65.91,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,15.41,-26.48,4,9,0, 709.018, 23
76945437
 
#85

Apollo Scientific Bioactives: BII0421
ref: mol2, SDF, SMILES, flexibase
3.91,17.31,-62.46,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,15.43,-25.93,4,9,0, 709.018, 23
76945430
 
#86

Apollo Scientific Bioactives: BII0421
ref: mol2, SDF, SMILES, flexibase
3.91,18.37,-72.47,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,16.51,-24.08,4,9,0, 709.018, 23
76945421
 
#87

Apollo Scientific Bioactives: BII0421
ref: mol2, SDF, SMILES, flexibase
3.91,18.41,-62,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,16.53,-22.48,4,9,0, 709.018, 23
76945414
 
#88

Apollo Scientific Bioactives: BII0123
ref: mol2, SDF, SMILES, flexibase
3.91,16.83,-74.3,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,14.95,-24.75,4,9,0, 709.018, 23
76945409
 
#89

Apollo Scientific Bioactives: BII0123
ref: mol2, SDF, SMILES, flexibase
3.91,16.79,-74.78,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,14.91,-24.57,4,9,0, 709.018, 23
76945405
 
#90

Apollo Scientific Bioactives: BII0123
ref: mol2, SDF, SMILES, flexibase
3.91,16.83,-73.83,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,14.96,-24.61,4,9,0, 709.018, 23
76945398
 
#91

Apollo Scientific Bioactives: BII0123
ref: mol2, SDF, SMILES, flexibase
3.91,16.86,-90.21,3,9,-1, 708.01, 23
lo: mol2, SDF, SMILES, flexibase
3.91,15.14,-23.11,4,9,0, 709.018, 23
76945395
 
#92

Apollo Scientific Bioactives: BIH0125
ref: mol2, SDF, SMILES, flexibase
-5.41,-17.1,-175.83,16,16,3, 530.548, 6
mid: mol2, SDF, SMILES, flexibase
-5.41,-17.83,-115.89,15,16,2, 529.54, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-19.41,-18.86,13,16,0, 527.524, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-18.18,-46.36,14,16,1, 528.532, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-20.78,-55.07,14,16,1, 528.532, 6
76945390
 
#93

Apollo Scientific Bioactives: BIH0125
ref: mol2, SDF, SMILES, flexibase
-5.41,-20.22,-183.13,16,16,3, 530.548, 6
mid: mol2, SDF, SMILES, flexibase
-5.41,-20.53,-121.7,15,16,2, 529.54, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-22.09,-19.45,13,16,0, 527.524, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-20.88,-49.44,14,16,1, 528.532, 6
hi: mol2, SDF, SMILES, flexibase
-5.41,-21.41,-60.9,14,16,1, 528.532, 6
76945387
 
#94

Apollo Scientific Bioactives: BIG2461
ref: mol2, SDF, SMILES, flexibase
1.52,2.71,-46.94,3,11,-1, 559.636, 5
lo: mol2, SDF, SMILES, flexibase
1.52,1.85,-21.98,4,11,0, 560.644, 5
lo: mol2, SDF, SMILES, flexibase
-0.88,4.65,-19.66,3,11,0, 560.644, 5

Similar to: 42349756,
76945380
 
#95

Apollo Scientific Bioactives: BIG0175
ref: mol2, SDF, SMILES, flexibase
-5.17,-16.09,-307.53,17,14,4, 500.59, 6
mid: mol2, SDF, SMILES, flexibase
-5.17,-16.45,-185.34,16,14,3, 499.582, 6
mid: mol2, SDF, SMILES, flexibase
-5.17,-16.59,-187.47,16,14,3, 499.582, 6
hi: mol2, SDF, SMILES, flexibase
-5.17,-18.38,-46.77,14,14,1, 497.566, 6
hi: mol2, SDF, SMILES, flexibase
-5.17,-18.62,-11.19,13,14,0, 496.558, 6
76945373
 
#96

Apollo Scientific Bioactives: BIG0175
ref: mol2, SDF, SMILES, flexibase
-5.17,-14.76,-304,17,14,4, 500.59, 6
mid: mol2, SDF, SMILES, flexibase
-5.17,-15.12,-181.77,16,14,3, 499.582, 6
mid: mol2, SDF, SMILES, flexibase
-5.17,-15.34,-186.7,16,14,3, 499.582, 6
hi: mol2, SDF, SMILES, flexibase
-5.17,-17.06,-44.69,14,14,1, 497.566, 6
hi: mol2, SDF, SMILES, flexibase
-5.17,-17.3,-9.81,13,14,0, 496.558, 6
76945369
 
#97

Apollo Scientific Bioactives: BIF4021
ref: mol2, SDF, SMILES, flexibase
0.11,-5.08,-22.82,8,15,0, 656.593, 6
76945366
 
#98

Apollo Scientific Bioactives: BIDF1027
Individual Suppliers: C76945366
ref: mol2, SDF, SMILES, flexibase
3.39,7.82,-16.05,3,8,0, 556.696, 6
76945362
 
#99

Apollo Scientific Bioactives: BIDF1023
ref: mol2, SDF, SMILES, flexibase
-0.02,-8.43,-23.86,8,14,0, 578.523, 6
hi: mol2, SDF, SMILES, flexibase
-0.02,-7.45,-70.05,7,14,-1, 577.515, 6
76945358
 
#100

Apollo Scientific Bioactives: BIDF1018
ref: mol2, SDF, SMILES, flexibase
-1.64,-13.6,-20.81,10,16,0, 596.494, 6

Similar to: 11615757, 11615759, 11615761, 11615762, ... 4 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 = 658 ) limit 0,100

Smiles were