0  B11R1.53  COc1ccccc1C(O)=O T5874 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.53  OCc1ccccc1C(O)=O T36787 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.61  CC(=O)c1ccccc1C T36788 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.61  CC(=O)c1ccccc1Cl T20449 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.61  CC(=O)c1ccccc1O TCS1856 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.61  Cc1ccccc1C(O)=O T8068 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.61  NC(=O)c1nccnc1O T7785 [1,0,0,0,0,0|2,0,0]=3
7  B10R1.61  OC(=O)c1ncccc1O T5986 [1,0,0,0,0,0|3,0,0]=4
8  B10R1.61  OC(=O)c1ncccc1S T12929 [1,0,0,0,0,0|3,0,0]=4
9  B12R1.77  CNc1ccccc1C(OC)=O TN6731 [0,1,0,0,0,0|3,0,0]=4
10  B12R1.283  CCOc1ccccc1C(N)=O T0058 [0,1,0,0,0,0|3,0,0]=4
11  B12R1.75  COc1ccccc1OC(C)=O T32015 [0,0,0,0,0,1|3,0,0]=4
12  B12R1.75  CSc1ccccc1NC(C)=O T2031 [0,0,0,0,0,1|3,0,0]=4
13  B9R1.6  CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|2,0,0]=4
14  B9R1.6  CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|0,0,0]=2
15  B9R1.6  NC(=O)c1ccccn1 T6942 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.6  NC(=O)c1cccnc1 T0934 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.6  NC(=O)c1cnccn1 T1426 [2,0,0,0,0,0|1,0,0]=3
18  B9R1.6  O=C(C1=NC=CC=C1)O T0879L [2,0,0,0,0,0|2,0,0]=4
19  B9R1.6  OC(=O)c1ccccn1 T4850 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.6  OC(=O)c1cccnc1 T0879 [2,0,0,0,0,0|2,0,0]=4
21  B9R1.6  OC(=O)c1cnccn1 T0569 [2,0,0,0,0,0|1,0,0]=3
22  B9R1.6  [O-]C(=O)c1ccccn1 T4575 [2,0,0,0,0,0|2,0,0]=4
23  B11R1.167  NC(=O)c1nc(F)cnc1O T6833 [1,1,0,0,0,0|2,0,0]=4
24  B11R1.222  COC(=O)c1nccnc1N T22363 [1,1,0,0,0,0|1,0,0]=3
25  B13R1.380  CCOc1ccccc1NC(C)=O T20296 [0,1,0,0,0,1|2,0,0]=4
26  B11R2.1  O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|2,0,0]=4
27  B13R2.5179  Clc1ccc2C(=O)CCCc2c1 T21355 [0,1,0,1,0,0|2,0,0]=4
28  B13R2.342  Oc1cccc2C(=O)CCCc12 T5662 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.41  CC(=O)c1occc1O T32217 [1,0,0,0,1,0|2,0,0]=4