0  B10R1.176  CCC1=CC=C(N)C(S)=C1 203812 [1,0,0,0,0,0|2,1,0]=4
1  B10R1.176  CCC1=CC=C([NH3+])C(S)=C1 203684 [1,0,0,0,0,0|2,1,0]=4
2  B10R1.176  COC1=CC=C(N)C(S)=C1 203561 [1,0,0,0,0,0|1,1,0]=3
3  B10R1.176  COC1=CC=C(S)C(N)=C1 203545 [1,0,0,0,0,0|1,1,0]=3
4  B10R1.176  COC1=CC=C(S)C([NH3+])=C1 203546 [1,0,0,0,0,0|1,1,0]=3
5  B10R1.176  COC1=CC=C([NH3+])C(S)=C1 203562 [1,0,0,0,0,0|1,1,0]=3
6  B12R2.44  COC1=CC=C2N=CSC2=C1 203503 [0,0,0,1,0,0|2,1,0]=4
7  B12R2.44  COC1=CC=C2SC=NC2=C1 203489 [0,0,0,1,0,0|3,0,0]=4
8  B9R1.69  CC1=CC=C(N)C(S)=C1 203553 [2,0,0,0,0,0|1,1,0]=4
9  B9R1.69  CC1=CC=C(S)C(N)=C1 203537 [2,0,0,0,0,0|1,1,0]=4
10  B9R1.69  CC1=CC=C(S)C([NH3+])=C1 203538 [2,0,0,0,0,0|1,1,0]=4
11  B9R1.69  CC1=CC=C([NH3+])C(S)=C1 203554 [2,0,0,0,0,0|1,1,0]=4
12  B11R1.166  CC1=NC(C)=C(C(=O)O)C=C1 202335 [1,1,0,0,0,0|2,0,0]=4
13  B11R1.192  CCOC1=CC=C(N)C(S)=C1 203563 [1,1,0,0,0,0|1,1,0]=4
14  B11R1.192  CCOC1=CC=C(S)C(N)=C1 203547 [1,1,0,0,0,0|1,1,0]=4
15  B11R1.192  CCOC1=CC=C(S)C([NH3+])=C1 203548 [1,1,0,0,0,0|1,1,0]=4
16  B11R1.192  CCOC1=CC=C([NH3+])C(S)=C1 203564 [1,1,0,0,0,0|1,1,0]=4
17  B13R2.2121  COC1=CC=C2N=C(Br)SC2=C1 201082 [0,1,0,1,0,0|1,1,0]=4
18  B13R2.2121  COC1=CC=C2N=C(Cl)SC2=C1 201081 [0,1,0,1,0,0|1,1,0]=4
19  B13R2.2121  COC1=CC=C2N=C(N)SC2=C1 203166 [0,1,0,1,0,0|1,1,0]=4
20  B13R2.2121  COC1=CC=C2N=C(O)SC2=C1 201083 [0,1,0,1,0,0|0,1,1]=4
21  B13R2.2121  COC1=CC=C2SC(Br)=NC2=C1 203163 [0,1,0,1,0,0|2,0,0]=4
22  B13R2.2121  COC1=CC=C2SC(Cl)=NC2=C1 203162 [0,1,0,1,0,0|2,0,0]=4
23  B13R2.2121  COC1=CC=C2SC(O)=NC2=C1 203164 [0,1,0,1,0,0|1,0,1]=4