0  B7R0.7  [C-]#[N+]CC(=O)OCC SPC-q003 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.1  CCOC(=O)C#N SPC-g163 [1,0,0,0,0,0|1,0,1]=3
2  B8R0.1  CCC#CC(=O)OCC SPC-t629 [0,1,0,0,0,0|0,0,2]=3
3  B8R1.4  CC1=CC(=O)NN=C1 SPC-t626 [0,0,0,1,0,0|2,0,1]=4
4  B8R1.4  C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,1,0,0|2,0,1]=4
5  B8R1.4  C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,1,0,0|1,0,2]=4
6  B8R1.4  C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.4  NC1=CC(=O)COC1 SPC-t582 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.4  O=C1CCNC(=O)C1 SPC-g649 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.11  CCN1N=CC=C1N SPC-g728 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.18  CC1=CC(=O)O[C@@H]1O SPC-s367 [0,0,0,1,0,0|1,0,0]=2
11  B8R1.18  CC1=CC(N)=NN1C SPC-v288 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.37  CCCC(=O)C1CC1 SPC-u760 [0,0,0,1,0,0|1,0,2]=4
13  B8R1.37  CCOC(=O)[C@@H]1CO1 SPC-g805 [0,0,0,1,0,0|1,0,1]=3
14  B7R0.5  CC(C)C(=O)OCCl SPC-n339 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.5  CCOC(=O)C(N)=S SPC-m739 [1,1,0,0,0,0|1,0,0]=3
16  B9R0.37  CCOC(=O)C(C=O)C=O SPC-g514 [0,2,0,0,0,0|1,0,1]=4
17  B7R1.2  C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.2  C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|2,0,0]=4
19  B7R1.2  O=C1CCC(=O)C1 SPC-h715 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.3  O=C1C=CCOC1 SPC-s270 [1,0,0,1,0,0|1,0,0]=3
21  B7R1.3  O=C1CCCNC1 SPC-q237 [1,0,0,1,0,0|1,0,1]=4
22  B7R1.3  O=C1CCCOC1 SPC-g865 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.3  O=C1CCCSC1 SPC-k221 [1,0,0,1,0,0|1,0,1]=4
24  B7R1.4  N[C@H]1CCOC1=O SPC-s908 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.69  CC1=CC(=O)NN=C1C SPC-p619 [0,1,0,1,0,0|1,0,1]=4
26  B9R1.73  CCOC(=O)C1CCC1 SPC-q614 [0,1,0,1,0,0|0,0,2]=4
27  B9R1.73  CCOC(=O)C1CNC1 SPC-g636 [0,1,0,1,0,0|0,0,2]=4
28  B9R1.73  CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|0,0,2]=4
29  B9R1.75  CCOC(=O)CC1CC1 SPC-q002 [0,1,0,1,0,0|0,0,2]=4
30  B9R1.3  O=C1CCCC(O)=C1I SPC-s937 [0,1,0,1,0,0|2,0,0]=4
31  B9R1.74  CCOC(=O)C1(O)CC1 SPC-p993 [0,1,0,1,0,0|0,0,2]=4
32  B9R1.34  CC1=CC(=O)C=C(C)O1 SPC-s219 [0,1,0,1,0,0|1,0,1]=4