0  B9R1.11  COC(=O)c1ccco1 T8022 [0,0,0,0,0,0|0,1,0]=1
1  B8R1.7  O=C(O)c1ccco1 T5544 [1,0,0,0,0,0|0,1,0]=2
2  B8R1.7  O=C(O)c1ccoc1 T5277 [1,0,0,0,0,0|2,1,0]=4
3  B10R1.15  C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,1|2,0,1]=4
4  B10R1.15  CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,1|2,0,0]=3
5  B10R1.15  COC(=O)c1cccnc1 T5562 [0,0,0,0,0,1|1,1,0]=3
6  B10R1.15  NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,1|3,0,0]=4
7  B10R1.15  NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.15  NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,1|3,0,0]=4
9  B7R0.4  C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,1,0]=4
10  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,1,0]=4
11  B11R1.16  O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,1|2,0,0]=4
12  B11R1.16  O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,1|2,0,0]=4
13  B11R1.22  CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,1|2,0,0]=4
14  B11R1.22  COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|1,1,0]=4
15  B11R1.23  COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,1,0]=4
16  B11R1.222  COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,1|1,1,0]=4
17  B11R1.222  COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,1|1,1,0]=4
18  B11R1.222  COC(=O)c1ccccc1O T0399 [0,1,0,0,0,1|1,1,0]=4
19  B9R1.3  Cc1cccc(O)c1O T3742 [0,0,1,1,0,0|1,0,1]=4
20  B9R1.5  O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|1,0,1]=4
21  B9R1.15  COc1ccccc1O T1301 [0,0,1,1,0,0|1,1,0]=4
22  B9R1.15  COc1ccccc1O T3267 [0,0,1,1,0,0|1,1,0]=4
23  B11R2.1  O=C1CCc2ccccc21 T0564 [0,0,0,1,0,1|2,0,0]=4
24  B9R1.6  CC(=O)c1ccccc1 T7446 [1,0,0,0,0,1|1,0,0]=3
25  B9R1.6  CC(=O)c1cnccn1 T5596 [1,0,0,0,0,1|1,0,0]=3
26  B9R1.6  NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,1|2,0,0]=4
27  B9R1.6  NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,1|2,0,0]=4
28  B9R1.6  NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,1|2,0,0]=4
29  B9R1.6  NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,1|2,0,0]=4
30  B9R1.6  NC(=O)c1cnccn1 T1426 [1,0,0,0,0,1|2,0,0]=4
31  B9R1.6  O=C(O)c1ccccc1 T0833 [1,0,0,0,0,1|1,1,0]=4
32  B9R1.6  O=C(O)c1ccccn1 T4850 [1,0,0,0,0,1|1,1,0]=4
33  B9R1.6  O=C(O)c1cccnc1 T0879 [1,0,0,0,0,1|1,1,0]=4
34  B9R1.6  O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,1|1,1,0]=4
35  B9R1.6  O=C(O)c1cnccn1 T0569 [1,0,0,0,0,1|1,1,0]=4
36  B9R1.6  O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,1|1,1,0]=4
37  B9R1.6  O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,1|1,1,0]=4