0  B11R1.166  CC1=NC(C)=C(C(=O)O)C=C1 202335 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.13  O=C(O)C1=CC=C(O)C=C1 RT-R05-056 [1,0,0,0,0,0|2,0,0]=3
2  B9R1.69  CC1=CC=C(N)C(S)=C1 203553 [2,0,0,0,0,0|2,0,0]=4
3  B9R1.69  CC1=CC=C(S)C(N)=C1 203537 [2,0,0,0,0,0|1,1,0]=4
4  B9R1.69  CC1=CC=C(S)C([NH3+])=C1 203538 [2,0,0,0,0,0|1,1,0]=4
5  B9R1.69  CC1=CC=C([NH3+])C(S)=C1 203554 [2,0,0,0,0,0|2,0,0]=4
6  B13R2.5397  CC1=CC(C)=C2N=C(Br)SC2=C1 201117 [0,0,0,1,0,1|1,1,0]=4
7  B13R2.5397  CC1=CC(C)=C2N=C(Cl)SC2=C1 201116 [0,0,0,1,0,1|1,1,0]=4
8  B13R2.5397  CC1=CC2=C(N=C(O)S2)C(C)=C1 203284 [0,0,0,1,0,1|1,0,1]=4
9  B13R2.5397  CC1=CC2=C(SC(Br)=N2)C(C)=C1 203296 [0,0,0,1,0,1|2,0,0]=4
10  B13R2.5397  CC1=CC2=C(SC(Cl)=N2)C(C)=C1 203295 [0,0,0,1,0,1|2,0,0]=4
11  B13R2.5397  CC1=CC2=C(SC(N)=N2)C(C)=C1 203294 [0,0,0,1,0,1|2,0,0]=4
12  B13R2.5397  CC1=CC2=C(SC(O)=N2)C(C)=C1 203297 [0,0,0,1,0,1|1,0,1]=4