0  B10R1.61  NC1=C(C(=O)O)C=NC=N1 BB52-2193 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.15  COC1=CC=CN=C1O BB52-8591 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.166  CC(=O)C1=CN=C(N)N=C1C BB52-6467 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.166  CC(=O)C1=CN=C(O)N=C1C BB52-6466 [0,1,0,0,0,0|3,0,0]=4
4  B11R1.166  CC(=O)C1=CN=C(S)N=C1C BB52-6465 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.166  CC1=C([N+](=O)[O-])C=CC(Cl)=C1 BB12-5188 [0,1,0,0,0,0|3,0,0]=4
6  B11R1.166  CC1=CC=C(C(=O)O)C(=O)N1 BB52-5680 [0,1,0,0,0,0|3,0,0]=4
7  B11R1.166  CN(C)C1=C(Br)C=C(I)C=C1 BB12-5134 [0,1,0,0,0,0|3,0,0]=4
8  B11R1.166  O=C(O)C1=C(Br)C=C(O)C=C1 BB17-0814 [0,1,0,0,0,0|2,0,0]=3
9  B11R1.167  O=[N+]([O-])C1=C(Br)C=CC(Cl)=C1 BB12-5241 [0,1,0,0,0,0|3,0,0]=4
10  B11R1.167  O=[N+]([O-])C1=C(I)C=CC(Cl)=C1 BB12-5242 [0,1,0,0,0,0|3,0,0]=4
11  B11R1.222  CCC(=O)C1=C(Cl)N=CC=C1 BB52-7664 [0,1,0,0,0,0|2,0,0]=3
12  B11R2.1  NC1=NNC2=NC=CC=C12 BB52-5780 [0,0,0,1,0,0|3,0,0]=4
13  B9R1.41  NC(=O)C1=C(N)SC=C1 BB52-8541 [0,0,0,0,1,0|2,0,0]=3
14  B9R1.41  NC1=C(C(=O)O)C=NN1 BB52-3969 [0,0,0,0,1,0|3,0,0]=4
15  B8R1.2  O=CC1=NN=CC=C1 BB52-3335 [2,0,0,0,0,0|2,0,0]=4
16  B10R1.13  CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,1,0,0,0,0|2,0,0]=4
17  B10R1.20  CNC1=NC=CC=C1C=O BB52-1560 [1,1,0,0,0,0|1,0,0]=3
18  B12R1.371  CCC(=O)NC1=C(N)C=CC=C1 BB12-7663 [0,1,0,0,0,1|0,0,0]=2
19  B12R1.46  NNC1=C([N+](=O)[O-])C=C(Cl)C=C1 BB12-5227 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.1000  CC1=CC(C)=C(C(=O)O)C(N)=N1 BB52-1586 [0,2,0,0,0,0|2,0,0]=4
21  B12R1.1000  CC1=CC(C)=C(C(N)=O)C(N)=N1 BB52-1591 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.511  CC1=C(C(=O)O)C=C(N)C=C1O BB17-0721 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.511  O=C(O)C1=C(O)C(Cl)=CC(Br)=C1 BB17-0535 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.232  CC1=CC([N+](=O)[O-])=C(N)C=C1Cl BB12-5802 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.452  CN(C)C1=C(N)C=C(C#N)C=C1 BB12-6095 [0,2,0,0,0,0|2,0,0]=4
26  B12R1.354  COC(=O)C1=CC(Cl)=CN=C1Cl BB52-3972 [0,2,0,0,0,0|2,0,0]=4
27  B12R2.24  CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,0,0,1,0,1|2,0,0]=4
28  B12R2.24  ClC1=NC2=CC=CC=C2SC1 BB52-6511 [0,0,0,1,0,1|2,0,0]=4
29  B12R2.202  CC1=NC2=CC=CC(Cl)=C2N1 BB12-5462 [0,0,0,1,0,1|2,0,0]=4
30  B12R2.1  BrCC1=NOC2=C1C=CC=C2 BB51-1493 [0,1,0,1,0,0|2,0,0]=4