1.

Cc1cc(CCS(C)(=O)=O)cc(C)c1c4cccc(COc2ccc3c(c2)CC[C@H]3CC(=O)O)c4
2.Cc1cccc(C)c1c3cccc(COc2ccc(CCC(=O)O)cc2)c3
3. Cc1cccc(C)c1c3cccc(COc2ccc(CCC(=O)O)cc2)c3
4. Cc1cccc(C)c1c3cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c3

5. Cc1cc(OC(C)(C)C)cc(C)c1c3cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c3
11. CCOc3cc(C)c(c2cccc(COc1ccc(S(=O)(=O)CC[COO])cc1)c2)c(C)c3
CCOc3cc(C)c(c2cccc(COc1ccc(S(=O)(=O)CC[COO])cc1)c2)c(C)c3

12. Cc1cc(OC(C)C)cc(C)c1c3cccc(COc2ccc(S(=O)(=O)CC[COO])cc2)c3
17. Cc1ccccc1c3cccc(COc2ccc(S(=O)(=O)CC[COO])cc2)c3
18. O=S(=O)(CC[COO])c3ccc(OCc2cccc(c1ccccc1)c2)cc3
20. O=S(=O)(CC[COO])c3ccc(OCc2cccc(c1ccccc1Cl)c2)cc3
21. O=S(=O)(CC[COO])c3ccc(OCc2cccc(c1ccccc1Br)c2)cc3
 Human Ether- P AMES P Carcinogen P Acute P Carcinogeni P Rat
a-go-go- Toxicity s Oral city (Three- Acute
Related Gene Toxicity class) Toxicit
y
1 Weak inhibitor 0 Non AMES 0 Non-
. toxic . Non- 0 III 0 required 2.5418
8 6 carcinogens . .
7 1 6 5 LD50,
2 1 6 9 mol/kg
1 8 8 9
2 1

2 Non AMES 0 0. 0 Non- 0

Weak inhibitor 0 toxic . Non- 8 III . required . 2.3074
. 9 carcinogens 7 7 6
9 5 8 6 6 LD50,
5 0 5 5 1 mol/kg
0 9 1 1
9

3 Non AMES 0 0. 0 Non- 0

Weak inhibitor 0 toxic . Non- 8 III . required . 2.3074
. 9 carcinogens 7 7 6
9 5 8 6 6 LD50,
5 0 5 5 1 mol/kg
0 9 1 1
9

4 Weak inhibitor 0 Non AMES 0. III 0

. toxic 0 Carcinogen 6 . Non- 2.3966
9 . s 1 6 required
8 6 5 2 LD50,
 7 6 1 3 mol/kg
4 3 0
1

5 Weak inhibitor 0 0 0 Non-

. Non AMES . Carcinogen 0. III . required 0 2.4754
9 toxic 6 s 6 6 .
8 4 4 2 6 LD50,
9 3 4 1 1 mol/kg
1 2 4 8 6
6

1 0 0. 0 Non- 0
1 Weak inhibitor . Non AMES 0 Carcinogen 5 III . required . 2.5474
9 toxic . s 5 6 6 LD50,
3 6 9 1 2 mol/kg
9 2 1 8 7
0 8 6 7
5

1 Weak inhibitor 0 Non AMES 0 0. III 0 Non- 0

2 . toxic . Carcinogen 6 . required . 2.5701
9 6 s 0 5 5 LD50,
3 3 3 9 7 mol/kg
0 4 6 1 7
6 1 7 1
1 Weak inhibitor 0 Non AMES 0 0. III 0 Non- 0 2.5131
7 . toxic . Carcinogen 5 . required .
8 6 s 0 5 5 LD50,
7 1 7 9 4 mol/kg
7 7 9 5 0
4 1 9 7
1 Weak inhibitor 0 Non AMES 0 0. III 0 Non- 0 2.5057
8 . toxic . Carcinogen 5 . required .
8 5 s 1 6 5 LD50,
8 8 6 4 2 mol/kg
9 9 3 9 4
8 2 4 4
2 Weak inhibitor 0 Non- 0 Carcinogen 0 Non- 0 2.7420
0 . inhibitor . s 0. III . required . LD50,
8 6 5 5 5 mol/kg
5 4 0 4 6
6 1 0 3 2
8 9 0 5 8

2 Weak inhibitor 0. 0 2.7055

1 0 Non AMES 0 Non- 5 III . Non- 0 LD50,
. toxic . carcinogens 4 5 required . mol/kg
9 6 3 4 5
0 4 5 9 2
2 5 0 7
7 5 1