0  B7R0.4  C\C=C\C=C\C(=O)O D05892 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.4  C\C=C\C=C\C(=O)[O-] D02411 [0,0,0,0,0,0|0,0,1]=1
2  B8R1.4  CC1=CC(O)=CC=C1 D04951 [0,0,0,1,0,0|1,0,0]=2
3  B8R1.4  O=C1C=CNC(=O)N1 D00027 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.4  O=C1C=CN[13C](=O)N1 D09776 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.4  OC1=CC=CC(O)=C1 D00133 [0,0,0,1,0,0|2,0,0]=3
6  B8R1.7  O=C(O)C1=CC=CS1 D08568 [0,0,0,1,0,0|1,0,0]=2
7  B7R0.6  O=C(O)\C=C\C(=O)O D02308 [1,1,0,0,0,0|1,0,0]=3
8  B7R0.6  O=C([O-])\C=C\C(=O)O D09832 [1,1,0,0,0,0|1,0,0]=3
9  B7R0.6  O=C([O-])\C=C\C(=O)[O-] D01194 [1,1,0,0,0,0|1,0,1]=4
10  B9R0.24  COC(=O)\C=C\C(=O)OC D03846 [0,2,0,0,0,0|1,0,0]=3
11  B7R1.3  OC1=CC=CC=C1 D00033 [1,0,0,1,0,0|1,0,0]=3
12  B7R1.3  OC1=CC=CC=C1 D06534 [1,0,0,1,0,0|1,0,0]=3
13  B7R1.3  [O-]C1=CC=CC=C1 D05455 [1,0,0,1,0,0|1,0,1]=4
14  B9R1.34  OC1=CC(O)=CC(O)=C1 D00152 [0,1,0,1,0,0|2,0,0]=4
15  B9R1.1  COC1=CC=C(O)C=C1 D04926 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.3  CC1=C([O-])C(=O)C=CO1 D10833 [0,1,0,1,0,0|1,0,1]=4
17  B9R1.6  NC(=O)C1=CN=CC=C1 D00036 [0,1,0,1,0,0|1,0,1]=4
18  B9R1.6  NC(=O)C1=CN=CC=N1 D00144 [0,1,0,1,0,0|2,0,0]=4
19  B9R1.6  O=C(O)C1=CC=CC=C1 D00038 [0,1,0,1,0,0|0,0,1]=3
20  B9R1.6  O=C(O)C1=CN=CC=C1 D00049 [0,1,0,1,0,0|0,0,1]=3
21  B9R1.6  O=C([O-])C1=CC=CC=C1 D02277 [0,1,0,1,0,0|0,0,2]=4
22  B9R1.6  O=C([O-])C1=CC=CC=C1 D05576 [0,1,0,1,0,0|0,0,2]=4
23  B9R1.69  CC1=C(Cl)C=CC(O)=C1 D03468 [0,1,0,1,0,0|1,0,0]=3