0  B6R0.3  CC(CN)C(=O)O BB58-0275 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.3  CCC(N)C(=O)O BB55-8838 [0,0,0,0,0,0|1,0,2]=3
2  B6R0.3  CON(C)C(C)=O BB20-1414 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.3  C\C=C(/Br)C(=O)O BB58-4520 [0,0,0,0,0,0|1,0,0]=1
4  B6R0.3  NCC(O)C(=O)O BB58-4543 [0,0,0,0,0,0|2,0,2]=4
5  B5R0.3  CC\C(N)=N\O BB05-3255 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.5  CC(C)C(N)=O BB01-6147 [1,0,0,0,0,0|1,0,1]=3
7  B5R0.5  CC(C)C(N)=S BB01-7896 [1,0,0,0,0,0|1,1,1]=4
8  B5R0.5  CN(C)C(N)=S BB55-6887 [1,0,0,0,0,0|2,1,0]=4
9  B7R0.5  CCNC(C)C(N)=O BB58-3590 [0,1,0,0,0,0|1,0,2]=4
10  B7R0.5  CCOC(=O)C(=O)[O-] BB58-2852 [0,1,0,0,0,0|1,0,2]=4
11  B7R0.5  NCCC(N)C(=O)O BB57-6108 [0,1,0,0,0,0|1,0,2]=4
12  B4R0.1  CC(=O)NN BB01-6190 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.4  CCNCC(=O)O BB20-0183 [1,1,0,0,0,0|0,0,2]=4
15  B6R0.4  O=CNCC(=O)O BB01-7318 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.2  CCN(C)C(C)C(=O)O BB58-2807 [0,1,0,0,0,1|1,0,1]=4
17  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [0,2,0,0,0,0|0,0,2]=4
18  B8R0.8  CCCNC(=O)C(=O)O BB55-4706 [0,2,0,0,0,0|1,0,1]=4
19  B8R0.12  CCCC(C)(C)C(=O)O BB57-6787 [0,2,0,0,0,0|0,0,2]=4
20  B8R0.18  CCC(C(=O)O)C(=O)O BB01-8140 [0,2,0,0,0,0|1,0,1]=4
21  B8R1.7  O=C(O)C1=CNC=N1 BB57-6654 [0,1,0,1,0,0|1,0,1]=4
22  B8R1.7  O=C(O)C1=COC=C1 BB57-0214 [0,1,0,1,0,0|0,0,2]=4
23  B8R1.7  O=C(O)C1=CSC=C1 BB53-1742 [0,1,0,1,0,0|0,0,2]=4
24  B8R1.7  O=C(O)C1=CSC=N1 BB01-8351 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.7  O=C(O)C1=CSN=N1 BB58-0324 [0,1,0,1,0,0|2,0,0]=4
26  B8R1.7  O=C(O)C1=NNC=C1 BB53-1765 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.7  O=C(O)C1CC=CC1 BB01-7889 [0,1,0,1,0,0|0,0,2]=4
28  B8R1.7  O=C(O)C1CCOC1 BB58-1384 [0,1,0,1,0,0|0,0,2]=4
29  B8R1.7  O=C(O)C1CSCN1 BB57-0213 [0,1,0,1,0,0|1,0,1]=4
30  B8R1.11  CC1=C(C=O)SC=C1 BB01-6101 [0,1,0,1,0,0|0,1,1]=4
31  B8R1.25  O=C1C(=O)C(O)=C1O BB01-6093 [0,1,0,1,0,0|2,0,0]=4