0  B15R1.12250  CC(C)CC1=CC=C([C@H](C)C(=O)O)C=C1 SY046826 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.12250  CC(C)OC1=CC=C(C(N)C(=O)O)C=C1 SY044869 [0,0,0,0,0,0|2,0,0]=2
2  B14R1.141  CCOC1=CC=C(C(N)C(=O)O)C=C1 SY044890 [1,0,0,0,0,0|2,0,0]=3
3  B14R1.717  CC(C)CC1=CC=C(C(=O)CO)C=C1 SY130990 [1,0,0,0,0,0|1,0,2]=4
4  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 SY015721 [1,0,0,0,0,0|2,0,1]=4
5  B16R1.1282  CC(C)OC1=CC=C(C(N)CC(=O)O)C=C1 SY014255 [0,0,0,0,0,1|2,0,0]=3
6  B16R1.1283  CC(C)OC1=CC=C(CC(N)C(=O)O)C=C1 SY044870 [0,0,0,0,0,1|2,0,0]=3
7  B13R1.36  COC1=CC=C(C(N)C(=O)O)C=C1 SY014170 [2,0,0,0,0,0|2,0,0]=4
8  B13R1.36  COC1=CC=C(C(O)C(=O)O)C=C1 SY017533 [2,0,0,0,0,0|2,0,0]=4
9  B13R1.36  COC1=CC=C([C@@H](O)C(=O)O)C=C1 SY017553 [2,0,0,0,0,0|2,0,0]=4
10  B13R1.36  COC1=CC=C([C@H](O)C(=O)O)C=C1 SY017551 [2,0,0,0,0,0|2,0,0]=4
11  B13R1.142  CCOC1=CC=C(CC(=O)O)C=C1 SY023161 [2,0,0,0,0,0|1,0,0]=3
12  B13R1.585  CC(C)CC1=CC=C(C(=O)O)C=C1 SY052664 [2,0,0,0,0,0|1,0,1]=4
13  B13R1.585  CC(C)CC1=CC=C([N+](=O)[O-])C=C1 SY250251 [2,0,0,0,0,0|2,0,0]=4
14  B15R1.55  CCCOC1=CC=C(C(O)C(=O)O)C=C1 SY109998 [1,1,0,0,0,0|1,0,0]=3
15  B15R1.5387  CC(C)OC1=CC=C(CC(=O)O)C=C1Br SY039215 [1,1,0,0,0,0|1,0,0]=3
16  B15R1.5387  CC(C)OC1=CC=C(CC(=O)O)C=C1O SY039209 [1,1,0,0,0,0|1,0,0]=3
17  B15R1.3665  CC(C)(C)C1=CC=C(C(N)C(=O)O)C=C1 SY044885 [0,1,0,0,1,0|1,0,0]=3
18  B17R1.791  CC(C)OC1=CC=C(CC(C#N)C(=O)O)C=C1 SY047926 [0,1,0,0,0,1|1,0,1]=4
19  B17R1.4465  CC(C)(C)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 SY060064 [0,1,0,0,0,1|2,0,0]=4
20  B15R1.15  CCOC1=CC=C(C(N)CC(=O)O)C=C1 SY044835 [1,0,0,0,0,1|2,0,0]=4
21  B15R1.16  CCOC1=CC=C(CC(N)C(=O)O)C=C1 SY044891 [1,0,0,0,0,1|2,0,0]=4
22  B15R1.16  CCOC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SY262561 [1,0,0,0,0,1|2,0,0]=4
23  B15R1.5504  CC(C)C1=CC=C(C(N)CC(=O)O)C=C1 SY013378 [0,0,0,0,1,1|1,0,0]=3