0  B8R1.8  C=CCN1C=NC=N1 180019 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.1  NCC1=CSC=N1 358537 [1,0,0,0,0,0|1,0,1]=3
2  B7R1.1  OCN1C=NC=N1 180008 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.7  CCCC1=NC=C(Br)N1 312919 [0,1,0,0,0,0|3,0,0]=4
4  B9R1.11  CCC(O)C1=CC=CO1 105062 [0,1,0,0,0,0|3,0,0]=4
5  B9R1.12  N#CCCN1C=CN=C1 009678 [0,1,0,0,0,0|2,0,1]=4
6  B9R1.33  CN1C=CN=C1CCN 311105 [0,1,0,0,0,0|2,0,0]=3
7  B9R1.8  CCOC1=CC=CN=C1 180053 [0,0,0,0,0,1|3,0,0]=4
8  B8R1.1  BrCC1=CN=C(Br)S1 230460 [1,1,0,0,0,0|2,0,0]=4
9  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [1,1,0,0,0,0|2,0,0]=4
10  B10R1.10  CCCC1=CC(N)=NC=C1 024686 [0,1,0,0,0,1|2,0,0]=4
11  B10R1.17  N#CCCC1=CC=NC=C1 024695 [0,1,0,0,0,1|1,0,1]=4
12  B10R1.17  NCCOC1=CN=CC=C1 044845 [0,1,0,0,0,1|1,0,0]=3
13  B10R1.27  NNC(=O)CC1=CC=CN1 014604 [0,2,0,0,0,0|1,0,1]=4
14  B10R1.187  CC1=NOC(C)=C1CCN 015637 [0,2,0,0,0,0|2,0,0]=4
15  B10R2.6  C1=CC(C2CC2)=CC=N1 024707 [0,0,0,1,0,1|2,0,0]=4