0  B9R1.69  CC1=CC=C(N)C(S)=C1 203553 [0,0,0,0,0,0|2,1,0]=3
1  B9R1.69  CC1=CC=C(S)C(N)=C1 203537 [0,0,0,0,0,0|2,1,0]=3
2  B9R1.69  CC1=CC=C(S)C([NH3+])=C1 203538 [0,0,0,0,0,0|2,1,0]=3
3  B9R1.69  CC1=CC=C([NH3+])C(S)=C1 203554 [0,0,0,0,0,0|2,1,0]=3
4  B9R1.69  CC1=NC=C(Br)C(Br)=C1 202274 [0,0,0,0,0,0|4,0,0]=4
5  B9R1.69  CC1=NC=C(Br)C(N)=C1 202272 [0,0,0,0,0,0|4,0,0]=4
6  B9R1.69  CC1=NC=C(Cl)C(Cl)=C1 201150 [0,0,0,0,0,0|4,0,0]=4
7  B9R1.69  CC1=NC=C(Cl)C(N)=C1 201147 [0,0,0,0,0,0|4,0,0]=4
8  B9R1.69  NC1=CC(Br)=CC=C1S 203542 [0,0,0,0,0,0|3,1,0]=4
9  B9R1.69  NC1=CC(F)=CC=C1S 203544 [0,0,0,0,0,0|3,1,0]=4
10  B9R1.69  NC1=CC(N)=C(O)C=C1 RT-R05-066 [0,0,0,0,0,0|3,0,1]=4
11  B9R1.69  NC1=CC=C(Br)C=C1S 203557 [0,0,0,0,0,0|3,1,0]=4
12  B9R1.69  NC1=CC=C(Cl)C=C1S 203555 [0,0,0,0,0,0|3,1,0]=4
13  B9R1.69  NC1=CC=C(F)C=C1S 203559 [0,0,0,0,0,0|3,1,0]=4
14  B9R1.69  [NH3+]C1=CC(Br)=CC=C1S 203541 [0,0,0,0,0,0|3,1,0]=4
15  B9R1.69  [NH3+]C1=CC(Cl)=CC=C1S 203539 [0,0,0,0,0,0|3,1,0]=4
16  B9R1.69  [NH3+]C1=CC(F)=CC=C1S 203543 [0,0,0,0,0,0|3,1,0]=4
17  B9R1.69  [NH3+]C1=CC=C(Br)C=C1S 203558 [0,0,0,0,0,0|3,1,0]=4
18  B9R1.69  [NH3+]C1=CC=C(Cl)C=C1S 203556 [0,0,0,0,0,0|3,1,0]=4
19  B9R1.69  [NH3+]C1=CC=C(F)C=C1S 203560 [0,0,0,0,0,0|3,1,0]=4
20  B8R1.3  CC1=NC=C(Br)C=C1 201345 [1,0,0,0,0,0|2,0,1]=4
21  B8R1.3  CC1=NC=C(Cl)C=C1 201146 [1,0,0,0,0,0|2,0,1]=4
22  B8R1.3  CC1=NC=C(N)C=C1 201145 [1,0,0,0,0,0|2,0,1]=4
23  B8R1.4  CC1=NC=CC(N)=C1 201006 [1,0,0,0,0,0|3,0,0]=4
24  B10R1.119  CC1=C([NH3+])C(S)=C(C)C=C1 203706 [0,1,0,0,0,0|2,1,0]=4
25  B10R1.176  CCC1=CC=C(N)C(S)=C1 203812 [0,1,0,0,0,0|2,1,0]=4
26  B10R1.176  CCC1=CC=C([NH3+])C(S)=C1 203684 [0,1,0,0,0,0|2,1,0]=4
27  B10R1.176  COC1=CC=C(N)C(S)=C1 203561 [0,1,0,0,0,0|2,1,0]=4
28  B10R1.176  COC1=CC=C(S)C(N)=C1 203545 [0,1,0,0,0,0|2,1,0]=4
29  B10R1.176  COC1=CC=C(S)C([NH3+])=C1 203546 [0,1,0,0,0,0|2,1,0]=4
30  B10R1.176  COC1=CC=C([NH3+])C(S)=C1 203562 [0,1,0,0,0,0|2,1,0]=4
31  B9R1.3  CC1=C(N)C(S)=CC=C1 203524 [1,1,0,0,0,0|1,1,0]=4