0  B7R1.2  C=C1C=CC(=O)O1 C07090 [1,0,0,0,0,0|2,0,1]=4
1  B7R1.2  CC1=CC(O)=NO1 C11103 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.37  C=C1OC(C)=C(O)C1=O C20718 [0,1,0,0,0,0|2,0,1]=4
3  B9R1.37  CC1=C(O)C(=O)C(C)O1 C20717 [0,1,0,0,0,0|2,0,1]=4
4  B9R1.34  CC1=CC(C)=CC(C)=C1 C14508 [0,0,0,0,0,1|2,0,0]=3
5  B9R1.34  CC1=CC(O)=CC(=O)O1 C02752 [0,0,0,0,0,1|3,0,0]=4
6  B9R1.69  CC1=CC(C)=C(C)C=C1 C14533 [0,0,0,0,0,1|2,0,0]=3
7  B9R1.69  CC1=CC(C)=C(N)C=C1 C11003 [0,0,0,0,0,1|3,0,0]=4
8  B9R1.69  CC1=CC(C)=C(O)C=C1 C14582 [0,0,0,0,0,1|3,0,0]=4
9  B9R1.69  CC1=CC(N)=C(C)C=C1 C18993 [0,0,0,0,0,1|3,0,0]=4
10  B9R1.69  CC1=CNC(=O)N=C1N C02376 [0,0,0,0,0,1|3,0,0]=4
11  B6R0.1  C\C=N\N(C)C=O C08305 [1,0,1,0,0,0|1,0,1]=4
12  B6R0.3  C=C(C)C(=O)OC C14527 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.3  C=C(C)C(=O)OC C19504 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.3  CC(=O)\C(C)=N\O C07509 [1,0,1,0,0,0|1,0,1]=4
15  B6R0.3  C\C(=N\O)C(=O)O C02193 [1,0,1,0,0,0|2,0,0]=4
16  B6R0.3  C\C=C(/C)C(=O)O C08279 [1,0,1,0,0,0|1,0,0]=3
17  B6R0.3  C\C=C(/N)C(=O)O C17234 [1,0,1,0,0,0|2,0,0]=4
18  B6R1.2  CC1=CN=CN1 C19262 [2,0,0,0,0,0|1,0,0]=3
19  B6R1.2  CC1=CNN=C1 C07837 [2,0,0,0,0,0|2,0,0]=4
20  B6R1.2  CC1=NC=CN1 C19261 [2,0,0,0,0,0|1,0,0]=3
21  B6R1.2  NC1=CN=CN1 C05239 [2,0,0,0,0,0|2,0,0]=4
22  B6R1.2  O=C1CC=CO1 C17602 [2,0,0,0,0,0|2,0,0]=4
23  B8R1.1  CC1=CC=C(C=O)O1 C11115 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.22  CC1=CC(C)=C(N)C(C)=C1 C19540 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.25  CC1=NC=C(CN)C(N)=N1 C20267 [0,1,0,0,0,1|2,0,0]=4
26  B10R1.25  CC1=NC=C(CO)C(N)=N1 C01279 [0,1,0,0,0,1|2,0,0]=4
27  B10R1.118  CC1=CC(C)=C(C)C=C1C C14534 [0,1,0,0,0,1|2,0,0]=4
28  B10R1.118  CC1=CC(C)=C(N)C=C1C C19539 [0,1,0,0,0,1|2,0,0]=4
29  B8R1.7  O=C(O)C1=NCCC1 C03564 [0,0,1,1,0,0|1,0,1]=4
30  B8R1.7  O=C(O)C1CCC=N1 C04322 [0,0,1,1,0,0|1,0,1]=4
31  B8R1.7  [C@@H]1(C(=O)O)CCC=N1 C03912 [0,0,1,1,0,0|1,0,1]=4
32  B8R1.3  CC1=CC=C(C)C=C1 C06756 [1,0,0,0,0,1|2,0,0]=4