0  B6R1.2  CC1=CNN=C1 D00707 [0,0,0,0,0,0|0,0,0]=0
1  B7R1.4  CN1C=CNC1=S D00401 [0,1,0,0,0,0|2,0,0]=3
2  B7R1.3  NC1=CC=NC=C1 D04127 [0,0,0,0,0,1|2,0,0]=3
3  B7R1.3  OC1=CC=CC=C1 D00033 [0,0,0,0,0,1|3,0,0]=4
4  B7R1.3  OC1=CC=CC=C1 D06534 [0,0,0,0,0,1|3,0,0]=4
5  B7R1.3  [O-]C1=CC=CC=C1 D05455 [0,0,0,0,0,1|3,0,0]=4
6  B4R0.1  CC(=O)NO D00220 [1,0,1,0,0,0|2,0,0]=4
7  B4R0.1  N=C(N)NN D05479 [1,0,1,0,0,0|2,0,0]=4
8  B8R1.2  OCC1=CC=CC=C1 D00077 [0,1,0,0,0,1|2,0,0]=4
9  B8R1.2  OCC1=CC=CN=C1 D05158 [0,1,0,0,0,1|1,0,0]=3
10  B8R1.4  CC1=CC(O)=CC=C1 D04951 [0,1,0,0,0,1|2,0,0]=4
11  B8R1.4  O=C1C=CNC(=O)N1 D00027 [0,1,0,0,0,1|2,0,0]=4
12  B8R1.4  O=C1C=CN[13C](=O)N1 D09776 [0,1,0,0,0,1|2,0,0]=4
13  B8R1.5  NC1=CC=NC=C1N D10228 [0,1,0,0,0,1|2,0,0]=4
14  B8R1.5  NC1=CC=NC=C1N D10689 [0,1,0,0,0,1|2,0,0]=4
15  B8R1.8  NCCC1=CNC=N1 D04444 [0,2,0,0,0,0|2,0,0]=4
16  B8R1.8  NCCC1=CNC=N1 D04445 [0,2,0,0,0,0|2,0,0]=4
17  B8R1.8  NCCC1=CNC=N1 D08040 [0,2,0,0,0,0|2,0,0]=4
18  B8R1.8  NCCC1=NNC=C1 D01187 [0,2,0,0,0,0|2,0,0]=4