0  B9R1.23  COC1=NC(C)=C(Br)S1 79703 [0,0,0,0,0,0|2,1,0]=3
1  B9R1.23  COC1=NN(C)C(C)=C1 D94422 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.1  CC1=CSC(CN)=N1 C11625 [1,0,0,0,0,0|1,1,0]=3
3  B8R1.1  CC1=NC=C(CN)O1 C72631 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.1  CN1C=NC(CN)=N1 P18523 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.1  NCC1=NC=C(Cl)S1 W17904 [1,0,0,0,0,0|2,1,0]=4
6  B8R1.1  OCC1=NC=C(Br)O1 86228 [1,0,0,0,0,0|2,0,0]=3
7  B10R1.131  CN1N=C(CCO)C=C1N AC3264 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.8  CC1=CC(Br)=CC(CN)=N1 C76956 [0,0,0,0,0,1|3,0,0]=4
9  B10R1.176  CC1=C(C)N=C(CN)C=C1 D85900 [0,0,0,0,0,1|2,0,0]=3
10  B10R1.176  COC1=CN=C(Br)C(C)=N1 C72568 [0,0,0,0,0,1|3,0,0]=4
11  B10R1.176  CSC1=NC(O)=C(C)C=N1 AC9786 [0,0,0,0,0,1|3,0,0]=4
12  B7R1.1  OCC1=NN=CO1 AT18766 [2,0,0,0,0,0|2,0,0]=4
13  B7R1.2  CC1=NC(N)=CS1 AC8716 [2,0,0,0,0,0|1,1,0]=4
14  B9R1.7  CNCC1=CN(C)C=N1 P18387 [1,1,0,0,0,0|2,0,0]=4
15  B9R1.35  CC(C)C1=NC=C(N)S1 D96767 [1,1,0,0,0,0|1,1,0]=4
16  B9R1.35  CC1=CC=C([C@H](C)N)O1 AT20911 [1,1,0,0,0,0|1,0,0]=3
17  B9R1.35  CC1=COC(C(=O)[O-])=N1 AT25441 [1,1,0,0,0,0|1,0,1]=4
18  B9R1.35  C[C@H](N)C1=CC=C(Br)O1 Y11523 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.14  COC1=NC(C)=C(O)C(C)=N1 P19909 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.21  CC1=C(Br)C=NC([C@H](C)N)=C1 79499 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.279  COC1=NC(C)=C(CN)C=C1 Y14150 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.280  CCC1=CN=C(Cl)C(CO)=C1 D96385 [0,1,0,0,0,1|2,0,0]=4