0  B6R1.2  CC1=CNN=C1 D00707 [0,0,0,0,0,0|4,0,0]=4
1  B6R1.2  NC1=NC=CS1 D02479 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.4  CN1C=CNC1=S D00401 [0,1,0,0,0,0|2,0,1]=4
3  B7R1.3  NC1=CC=NC=C1 D04127 [0,0,0,0,0,1|2,0,0]=3
4  B7R1.3  OC1=CC=CC=C1 D00033 [0,0,0,0,0,1|1,1,0]=3
5  B7R1.3  OC1=CC=CC=C1 D06534 [0,0,0,0,0,1|1,1,0]=3
6  B7R1.3  [O-]C1=CC=CC=C1 D05455 [0,0,0,0,0,1|1,1,0]=3
7  B4R0.1  C=CC(=O)O D03392 [1,0,1,0,0,0|0,2,0]=4
8  B4R0.1  C=CC(=O)O D03393 [1,0,1,0,0,0|0,2,0]=4
9  B4R0.1  C=CC(=O)O D03394 [1,0,1,0,0,0|0,2,0]=4
10  B4R0.1  C=CC(=O)O D03395 [1,0,1,0,0,0|0,2,0]=4
11  B4R0.1  C=CC(=O)O D03396 [1,0,1,0,0,0|0,2,0]=4
12  B4R0.1  C=CC(=O)O D03397 [1,0,1,0,0,0|0,2,0]=4
13  B8R1.2  C(=O)C1=CC=CC=C1 D02314 [0,1,0,0,0,1|1,1,0]=4
14  B8R1.2  OCC1=CC=CC=C1 D00077 [0,1,0,0,0,1|1,1,0]=4
15  B8R1.2  OCC1=CC=CN=C1 D05158 [0,1,0,0,0,1|1,1,0]=4
16  B8R1.3  OC1=CC=C(Cl)C=C1 D00149 [0,1,0,0,0,1|1,1,0]=4
17  B8R1.3  OC1=CC=C(O)C=C1 D00073 [0,1,0,0,0,1|1,1,0]=4
18  B8R1.4  CC1=CC(O)=CC=C1 D04951 [0,1,0,0,0,1|1,1,0]=4
19  B8R1.4  O=C1C=CNC(=O)N1 D00027 [0,1,0,0,0,1|1,1,0]=4
20  B8R1.4  O=C1C=CN[13C](=O)N1 D09776 [0,1,0,0,0,1|1,1,0]=4
21  B8R1.4  OC1=CC=CC(O)=C1 D00133 [0,1,0,0,0,1|1,1,0]=4
22  B8R1.5  NC1=CC=NC=C1N D10228 [0,1,0,0,0,1|2,0,0]=4
23  B8R1.5  NC1=CC=NC=C1N D10689 [0,1,0,0,0,1|2,0,0]=4
24  B8R1.5  [O-]N1C=CC=CC1=S D01938 [0,1,0,0,0,1|1,0,1]=4
25  B8R1.5  [O-]N1C=CC=CC1=S D05662 [0,1,0,0,0,1|1,0,1]=4
26  B8R1.7  O=C(O)C1=CC=CS1 D08568 [0,2,0,0,0,0|0,1,0]=3