0  B4R0.1  C=C[C@H](C)N N11431 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.2  O=C(O)CC(F)F P18472 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.3  C=CC(=O)C(=O)O AC9460 [0,1,0,0,0,0|0,0,1]=2
3  B6R0.3  C=C[C@H](N)C(=O)O F31036 [0,1,0,0,0,0|0,0,2]=3
4  B6R0.3  C[C@@H](CN)C(=O)O 31999 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.4  O=C(O)\C=C\CF AT12709 [0,1,0,0,0,0|0,0,0]=1
6  B6R0.4  O=C(O)\C=C\CO AT11505 [0,1,0,0,0,0|0,0,0]=1
7  B6R1.2  BrC1=CC=NO1 A51037 [0,0,0,1,0,0|2,0,0]=3
8  B6R1.2  FC1=CSC=C1 T72274 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  O=C1NN=CO1 D96956 [0,0,0,1,0,0|2,0,1]=4
10  B5R0.3  C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.2  NC\C=C/CN C13830 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.3  COC(=O)\C=C\CN AT20735 [0,2,0,0,0,0|0,0,0]=2
13  B7R0.10  C=C(OC)C(=O)OC 78623 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.15  CN[C@@H](CS)C(=O)O AC8363 [0,2,0,0,0,0|1,0,1]=4
15  B7R0.6  O=C(O)COC(F)F 89985 [0,2,0,0,0,0|1,0,1]=4
16  B7R1.1  OCC1=NSC=C1 AT21123 [0,1,0,1,0,0|2,0,0]=4
17  B7R1.1  OC[C@@H]1C=CCC1 74782 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.2  CC1=NC(N)=CS1 AC8716 [0,1,0,1,0,0|2,0,0]=4
19  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|0,0,2]=4
20  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|0,0,2]=4
21  B7R1.2  O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|1,0,0]=3
22  B7R1.4  CN1CC=CC1=O N13365 [0,1,0,1,0,0|1,0,0]=3
23  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O 55219 [0,1,0,1,0,0|0,0,2]=4
24  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O P17920 [0,1,0,1,0,0|0,0,2]=4
25  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,1,0,1,0,0|0,0,2]=4
26  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I D79124 [0,1,0,1,0,0|0,0,2]=4
27  B7R1.12  O=C(O)[C@H]1C[C@@H]1F P14126 [0,1,0,1,0,0|0,0,2]=4
28  B7R1.18  O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|0,0,2]=4
29  B7R1.18  O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|0,0,2]=4