0  B11R1.3  O=CC1=CC=C(B(O)O)C=C1 SPC-m416 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.3  O=CC1=NC=C([N+](=O)[O-])C=C1 SPC-n226 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.3  COC1=CN=C(C=O)N=C1 SPC-u633 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.3  COC1=NC=C(C=O)C=C1 SPC-n262 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.3  CSC1=NC=C(C=O)C=N1 SPC-p097 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.3  O=CC1=CC=C(CCl)C=C1 SPC-u418 [1,0,0,0,0,0|1,0,0]=2
6  B10R1.13  CC(C)C1=NC=C(Br)C=N1 SPC-p645 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.13  CC(C)C1=NC=C(N)C=C1 SPC-p736 [1,0,0,0,0,0|2,0,0]=3
8  B10R1.13  C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [1,0,0,0,0,0|3,0,0]=4
9  B12R1.256  O=C(O)C1=CN=C(C(F)F)C=C1 SPC-d151 [0,1,0,0,0,0|3,0,0]=4
10  B9R1.1  CC1=CN=C(C=O)C=N1 SPC-m053 [2,0,0,0,0,0|2,0,0]=4
11  B9R1.1  CC1=CN=C(C=O)N=C1 SPC-k973 [2,0,0,0,0,0|2,0,0]=4
12  B9R1.1  CC1=NC=C(C=O)C=C1 SPC-g684 [2,0,0,0,0,0|1,0,0]=3
13  B9R1.1  CCC1=NC=C(Br)C=C1 SPC-n190 [2,0,0,0,0,0|2,0,0]=4
14  B9R1.1  NC1=NC=C(C=O)C=C1 SPC-h376 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.1  NCC1=CNC(=O)C=C1 SPC-j609 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.1  O=CC1=CN=C(Br)C=C1 SPC-j262 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.1  O=CC1=NC=C(O)C=C1 SPC-u413 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.6  CC(C)C1=NC=CC=C1 SPC-g429 [2,0,0,0,0,0|1,0,0]=3
19  B9R1.6  C[C@H](O)C1=CC=CC=C1 SPC-s644 [2,0,0,0,0,0|1,0,0]=3
20  B11R1.19  CC(C)(C)C1=CN=C(Br)C=C1 SPC-v127 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.19  CC(C)(C)C1=CN=C(Cl)C=C1 SPC-u436 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.166  CC(C)N1C=CC(N)=CC1=O SPC-r188 [1,1,0,0,0,0|2,0,0]=4
23  B13R1.38  O=CC1=C(O)C=C(C(F)(F)F)C=C1 SPC-s872 [0,2,0,0,0,0|2,0,0]=4
24  B13R1.338  CC(C)(C)C1=NC=C(C(=O)O)C=C1 SPC-k173 [0,2,0,0,0,0|1,0,0]=3
25  B13R1.120  CC(C)N1C=CC(C(=O)O)=CC1=O SPC-t437 [0,2,0,0,0,0|1,0,0]=3
26  B13R1.652  COC1=C(Br)C=C(C(C)C)C(F)=C1 SPC-g819 [0,2,0,0,0,0|2,0,0]=4
27  B13R2.2121  CN1C=C2C=CC(C=O)=CC2=N1 SPC-t487 [0,0,0,1,0,1|2,0,0]=4
28  B13R2.2130  CN1N=CC2=C1C=CC(C=O)=C2 SPC-j695 [0,1,0,1,0,0|1,0,1]=4
29  B11R1.20  CC(C)OC1=CC=C(N)C=C1 SPC-s967 [1,0,0,0,0,1|1,0,0]=3
30  B11R1.20  CC(C)OC1=NC=C(N)C=C1 SPC-v002 [1,0,0,0,0,1|2,0,0]=4