0  B12R1.16  CCOC(=O)C1=CC=C(N)C=C1 D00552 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.16  CCOC(=O)C1=CC=C(O)C=C1 D01647 [0,0,0,0,0,0|1,0,0]=1
2  B12R1.16  CCOC(=O)C1=CC=C([O-])C=C1 D10929 [0,0,0,0,0,0|1,0,0]=1
3  B11R1.16  CCOC(=O)C1=CC=CN=C1 D08274 [1,0,0,0,0,0|1,0,0]=2
4  B11R1.16  O=C(NCO)C1=CN=CC=C1 D08051 [1,0,0,0,0,0|3,0,0]=4
5  B11R1.22  CCC(=O)C1=CC=C(O)C=C1 D01870 [1,0,0,0,0,0|1,0,0]=2
6  B11R1.22  COC(=O)C1=CC=C(O)C=C1 D01400 [1,0,0,0,0,0|1,0,0]=2
7  B11R1.22  COC(=O)C1=CC=C([O-])C=C1 D02458 [1,0,0,0,0,0|1,0,0]=2
8  B13R1.17  CCCOC(=O)C1=CC=C(N)C=C1 D05735 [0,1,0,0,0,0|0,0,0]=1
9  B13R1.17  CCCOC(=O)C1=CC=C(O)C=C1 D01422 [0,1,0,0,0,0|1,0,0]=2
10  B13R1.17  CCCOC(=O)C1=CC=C([O-])C=C1 D02459 [0,1,0,0,0,0|1,0,0]=2
11  B13R1.17  NCCNC(=O)C1=NC=C(Cl)C=C1 D01097 [0,1,0,0,0,0|3,0,0]=4
12  B13R1.17  NCCNC(=O)C1=NC=C(Cl)C=C1 D04681 [0,1,0,0,0,0|3,0,0]=4
13  B13R1.466  CNCC(=O)C1=CC(O)=C(O)C=C1 D02774 [0,1,0,0,0,0|3,0,0]=4
14  B13R1.466  CNCC(=O)C1=CC(O)=C(O)C=C1 D07560 [0,1,0,0,0,0|3,0,0]=4
15  B10R1.15  CCC(O)C1=CC=CC=C1 D01470 [2,0,0,0,0,0|0,0,2]=4
16  B10R1.15  COC(=O)C1=CC=CN=C1 D04991 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.15  [*]OC(=O)C1=CC=CC=C1 D02816 [2,0,0,0,0,0|1,0,0]=3
18  B10R1.13  NC1=CC=C(C(=O)O)C=C1 D02456 [2,0,0,0,0,0|0,0,0]=2
19  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02906 [2,0,0,0,0,0|0,0,1]=3
20  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02907 [2,0,0,0,0,0|0,0,1]=3
21  B12R1.17  CCOC(=O)C1=CC=CC([NH3+])=C1 D08632 [1,1,0,0,0,0|0,0,0]=2
22  B14R1.19  CCCCOC(=O)C1=CC=C(N)C=C1 D00730 [0,2,0,0,0,0|0,0,0]=2
23  B14R1.19  CCCCOC(=O)C1=CC=C(O)C=C1 D01420 [0,2,0,0,0,0|1,0,0]=3
24  B14R1.678  CC(C)COC(=O)C1=CC=C(N)C=C1 D04622 [0,2,0,0,0,0|0,0,0]=2
25  B14R1.678  NC1=CC=C(C(=O)NCC(=O)O)C=C1 D06890 [0,2,0,0,0,0|1,0,1]=4
26  B14R1.678  NC1=CC=C(C(=O)NCC(=O)[O-])C=C1 D01421 [0,2,0,0,0,0|1,0,1]=4