0  B5R0.1  CC(C)=CCO T4747 [1,0,0,0,0,0|0,0,3]=4
1  B5R0.1  CC(C)\C=N\O T4930 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.6  NC(=O)\C=C/C(=O)O T4905 [0,1,0,0,0,0|2,0,1]=4
3  B7R0.6  O=C(O)\C=C/C(=O)O T4913 [0,1,0,0,0,0|2,0,1]=4
4  B7R0.6  O=C(O)\C=C\C(=O)O T2769 [0,1,0,0,0,0|2,0,1]=4
5  B7R0.6  O=C(O)\C=C\C(=O)O T3763 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.6  O=C([O-])\C=C\C(=O)[O-] T0001 [0,1,0,0,0,0|2,0,1]=4
7  B7R1.2  Cn1ccc(N)n1 T3295 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.2  O=C1C=CC(=O)N1 T4820 [0,0,0,1,0,0|2,0,1]=4
9  B7R1.3  CC1=NC=CC=C1 T21323 [0,0,0,1,0,0|2,0,1]=4
10  B4R0.1  CC(=O)C=O T19536 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.2  CC(C)=CC(=O)O T5305 [1,1,0,0,0,0|0,0,1]=3
12  B6R0.2  CC(C)CC(=O)O T5609 [1,1,0,0,0,0|0,0,1]=3
13  B6R0.2  CC(C)CC(N)=O T0361 [1,1,0,0,0,0|0,0,1]=3
14  B6R0.2  CC(C)SC(=N)N T23300 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.2  CN(C)CC(=O)O T4120 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.2  C[C@@H](O)CC(=O)O T5248 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.2  C[C@H](O)CC(=O)O T13979 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.6  CC\C=C/CCO T22295 [1,1,0,0,0,0|0,0,2]=4
20  B8R0.23  CC(C)C(N)CC(=O)O T5569 [0,2,0,0,0,0|0,0,2]=4
21  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,2,0,0,0,0|0,0,1]=3
22  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,2,0,0,0,0|0,0,2]=4
23  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,2,0,0,0,0|0,0,2]=4
24  B8R0.23  CC(C)C[C@H](O)C(=O)O T5294 [0,2,0,0,0,0|0,0,2]=4
25  B6R1.2  C[C-]1C=CC=C1 T20558 [1,0,0,1,0,0|0,0,2]=4
26  B8R1.1  CC1=CC=C(C=O)O1 TCP2934 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.18  CC1=CC(=O)C(C)O1 T22309 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.18  CN1CC(=O)N=C1N T0496 [0,1,0,1,0,0|2,0,0]=4
29  B8R1.18  CN1CC(=O)NC1=O T5236 [0,1,0,1,0,0|2,0,0]=4