0  B9R1.8  C1=CC=C(C=C1)CC=O 746 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.8  C1=CC=C(C=C1)CCO 750 [0,0,0,0,0,0|0,0,2]=2
2  B8R1.2  C1=CC=C(C=C1)C=O 15 [1,0,0,0,0,0|0,0,0]=1
3  B8R1.2  CCC1=NC=CN=C1 111 [1,0,0,0,0,0|2,0,1]=4
4  B10R1.17  C1=CC=C(C=C1)\C=C\CO 743 [0,1,0,0,0,0|0,0,2]=3
5  B10R1.18  C1=CC=C(C=C1)NC(=S)N 119 [0,1,0,0,0,0|1,1,0]=3
6  B10R1.18  CC(=S)NC1=CC=CC=C1 695 [0,1,0,0,0,0|1,1,0]=3
7  B10R1.18  CC(CC1=CC=CC=C1)N 262 [0,1,0,0,0,0|1,0,1]=3
8  B10R1.18  CC(CC1=CC=CC=C1)N 263 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.18  C[C@@H](CC1=CC=CC=C1)N 170 [0,1,0,0,0,0|1,0,1]=3
10  B7R1.3  CC1=CC=CC=N1 685 [2,0,0,0,0,0|1,0,0]=3
11  B9R1.1  COC1=CC=C(C=C1)O 926 [1,1,0,0,0,0|1,0,1]=4
12  B9R1.6  C1=CC=C(C=C1)C(=O)N 57 [1,1,0,0,0,0|0,0,0]=2
13  B9R1.6  C1=CC=C(C=C1)C(=O)[O-] 67 [1,1,0,0,0,0|0,0,0]=2
14  B9R1.6  CC(=O)C1=CC=CC=C1 713 [1,1,0,0,0,0|0,0,0]=2
15  B9R1.6  CC(=O)C1=NC=CN=C1 689 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.20  CC(=O)NC1=CC=C(C=C1)O 121 [0,2,0,0,0,0|1,0,0]=3
17  B11R1.83  C\C=C\C1=CC=C(C=C1)OC 33 [0,2,0,0,0,0|1,0,1]=4
18  B11R1.36  CC(C(C1=CC=CC=C1)O)N 1182 [0,2,0,0,0,0|1,0,1]=4
19  B11R1.28  C1=CC=C(C=C1)CCN=C=O 974 [0,2,0,0,0,0|0,0,1]=3
20  B11R1.28  C1=CC=C(C=C1)CCN=C=S 118 [0,2,0,0,0,0|0,1,1]=4
21  B11R1.28  C1=CC=C(C=C1)CCOC=O 760 [0,2,0,0,0,0|0,0,0]=2
22  B11R1.40  C[C@@H](CC1=CC=CC=C1)NC 313 [0,2,0,0,0,0|1,0,1]=4
23  B11R1.91  CC(=O)OCC1=CC=CC=C1 723 [0,2,0,0,0,0|0,0,0]=2
24  B11R1.509  CC(C)(CC1=CC=CC=C1)O 715 [0,2,0,0,0,0|0,0,2]=4
25  B11R2.20  C1=CC=C2C(=C1)C=NC=N2 449 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.1  C1=COC(=C1)CO 217 [1,0,0,0,1,0|1,0,1]=4