0  B5R0.1  C=CC[C@H](C)N D84793 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CN(C)NC=O 20013 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  C=C[C@H](C)N N11431 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.3  C=CC(=O)C(=O)O AC9460 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  C=C[C@H](N)C(=O)O F31036 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.4  O=C(O)\C=C\CF AT12709 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.4  O=C(O)\C=C\CO AT11505 [0,1,0,0,0,0|2,0,1]=4
7  B6R1.2  BrC1=CC=NO1 A51037 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  FC1=NC=CN1 F31129 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  O=C1NN=CO1 D96956 [0,0,0,1,0,0|2,0,0]=3
10  B6R1.5  O=C1CC(F)C1 P13807 [0,0,0,1,0,0|2,0,1]=4
11  B5R0.3  C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.3  C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.3  COC(=O)\C=C\CN AT20735 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.4  CC(=O)OCCCO Y14698 [0,2,0,0,0,0|0,0,2]=4
15  B5R1.1  C1=NN=CO1 F13208 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.1  OCC1=NN=CO1 AT18766 [0,1,0,1,0,0|2,0,0]=4
17  B7R1.2  CC1=NC(N)=CS1 AC8716 [0,1,0,1,0,0|1,1,0]=4
18  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|0,0,2]=4
19  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|0,0,2]=4
20  B7R1.2  NC1=NCC(=O)S1 C13281 [0,1,0,1,0,0|1,1,0]=4
21  B7R1.2  O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.4  CN1CC=CC1=O N13365 [0,1,0,1,0,0|1,0,1]=4