0  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.69  CC1=CN=C(N)C(C)=C1 4090966 [0,0,0,0,0,0|2,0,1]=3
2  B8R1.3  CC1=CN=C(O)N=C1 4090925 [1,0,0,0,0,0|1,0,2]=4
3  B10R1.25  NCC1=C(O)C=C(O)C=C1 4089662 [0,1,0,0,0,0|3,0,0]=4
4  B10R1.119  CC1=CC=C(N)C(N)=C1C 3002687 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.50  CC1=NNC(C)=C1F 3001804 [0,0,0,0,1,0|3,0,0]=4
6  B8R1.50  CC1=NNC(C)=C1I 3002644 [0,0,0,0,1,0|3,0,0]=4
7  B8R1.50  CC1=NNC(N)=C1N 4089947 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.1  CC1=CN=C(CN)C=C1 4010338 [1,1,0,0,0,0|1,0,1]=4
9  B9R1.1  CC1=CN=C(CN)C=C1 4089721 [1,1,0,0,0,0|1,0,1]=4
10  B9R1.2  CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|2,0,0]=4
11  B9R1.2  NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|2,0,0]=4
12  B11R1.81  CC1=CC(Cl)=C(N=C=O)C=C1 3001940 [0,2,0,0,0,0|2,0,0]=4
13  B11R1.278  CC1=CNC(CN)=C(C)C1=O 4089515 [0,2,0,0,0,0|2,0,0]=4
14  B9R1.35  CC1=CNC(C(=O)O)=N1 4088804 [0,0,1,1,0,0|2,0,0]=4
15  B7R1.2  CC1=COC(C)=C1 4091270 [1,0,0,0,1,0|2,0,0]=4