0  B13R2.1613  BrCC1=CN=CC2=CC=CC=C21 3H32-9-0R [0,0,0,0,0,0|3,0,0]=3
1  B13R2.1613  COC1=CN=CC2=CC=CC=C21 4H07-1-4F [0,0,0,0,0,0|3,0,0]=3
2  B13R2.1613  NCC1=NC=CC2=CC=CC=C21 3H30-1-TA [0,0,0,0,0,0|2,0,0]=2
3  B13R2.1613  OCC1=CC=CC2=CC=CC=C21 2601-1-07 [0,0,0,0,0,0|4,0,0]=4
4  B12R2.1081  BrC1=CN=CC2=CC=CN=C12 3H32-9-4C [1,0,0,0,0,0|3,0,0]=4
5  B12R2.1081  CC1=NCCC2=C1C=CC=C2 3H32-1-NK [1,0,0,0,0,0|2,0,1]=4
6  B12R2.1081  SC1=C2C=CC=CC2=NC=N1 7H61-1-0J [1,0,0,0,0,0|3,0,0]=4
7  B14R2.1073  COC1=NC=CC2=CC(Br)=CC=C21 4H07-9-0S [0,1,0,0,0,0|3,0,0]=4
8  B14R2.11684  NCC1=CC=CC2=CC=C(Cl)C=C21 3630-5-0M [0,1,0,0,0,0|3,0,0]=4
9  B14R2.31359  N=C(N)C1=CC=CC2=CC=CC=C21 3641-1-03 [0,1,0,0,0,0|3,0,0]=4
10  B11R1.53  N#CC1=CC=CC=C1C(=N)N 4641-5-15 [1,0,1,0,0,0|0,0,2]=4
11  B13R2.162  ClC1=CC2=C(Br)N=CC=C2C=C1 3H32-D-09 [1,1,0,0,0,0|2,0,0]=4
12  B13R2.162  FC1=CC2=C(Br)N=CC=C2C=C1 3H32-B-59 [1,1,0,0,0,0|2,0,0]=4
13  B13R2.162  FC1=CC2=C(Cl)N=NC=C2C=C1 3H32-7-1G [1,1,0,0,0,0|1,0,0]=3
14  B13R2.162  NC1=CC=CC2=CC=C(Br)C=C12 3630-9-0G [1,1,0,0,0,0|2,0,0]=4
15  B13R2.342  FC1=CC=CC2=C(Cl)N=CC=C12 3H32-7-1D [1,1,0,0,0,0|2,0,0]=4
16  B13R2.371  NC1=CNC(=O)C2=CC=CC=C12 4H30-1-8M [1,1,0,0,0,0|1,0,1]=4
17  B13R2.371  NC1=CNC(=O)C2=CC=CC=C12 4H30-5-60 [1,1,0,0,0,0|1,0,1]=4
18  B13R2.4818  CC1=CN=CC2=CC=CC(N)=C12 3H30-1-73 [1,1,0,0,0,0|2,0,0]=4
19  B13R2.4818  NC1=CC=CC2=CC=NC(O)=C12 4H56-1-0FL [1,1,0,0,0,0|2,0,0]=4
20  B13R2.4818  NC1=NC=CC2=CC=CC(Br)=C21 3H30-9-20 [1,1,0,0,0,0|1,0,0]=3
21  B13R2.5179  CC1=NC=CC2=CC(Br)=CC=C21 3H32-9-0S [1,1,0,0,0,0|2,0,0]=4
22  B13R2.5179  ClC1=CC2=CC=NC(Br)=C2C=C1 3H32-D-14 [1,1,0,0,0,0|2,0,0]=4
23  B13R2.5179  FC1=CC2=CN=NC(Cl)=C2C=C1 3H32-7-1H [1,1,0,0,0,0|1,0,0]=3
24  B13R2.5179  OC1=NC=CC2=CC(Cl)=CC=C21 4H01-5-2N [1,1,0,0,0,0|2,0,0]=4
25  B13R2.2136  NCC1=NNC2=CC=C(Br)C=C21 3H33-D-0H [0,1,0,0,1,0|1,0,1]=4
26  B11R2.1  CC1=C2C=CC=CN2C=N1 3H32-1-Z4 [1,0,0,0,1,0|2,0,0]=4
27  B11R2.1  ClC1=NN=C2C=CC=CN12 3H32-5-KQ [1,0,0,0,1,0|2,0,0]=4
28  B11R2.1  NC1=NSC2=CC=CC=C21 7H30-1-0H [1,0,0,0,1,0|1,0,0]=3
29  B11R2.1  [O-]C1=NSC2=CC=CC=C21 8H70-1-0Q [1,0,0,0,1,0|2,0,0]=4