0  B5R0.5  CC(C)C(N)=O BB01-6147 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.5  CC(C)C(N)=S BB01-7896 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  CN(C)C(N)=S BB55-6887 [0,0,0,0,0,0|3,1,0]=4
3  B4R0.1  CC(=O)NN BB01-6190 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.1  CCC(N)=S BB58-4261 [1,0,0,0,0,0|1,1,1]=4
5  B4R0.1  CCS(=O)[O-] BB58-0194 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.1  CNC(N)=S BB20-1194 [1,0,0,0,0,0|2,1,0]=4
7  B4R0.1  COC(=S)[S-] BB57-1615 [1,0,0,0,0,0|1,2,0]=4
8  B4R0.1  NC(=O)CO BB58-4485 [1,0,0,0,0,0|1,0,1]=3
9  B4R0.1  NC(=O)NO BB58-1684 [1,0,0,0,0,0|2,0,0]=3
10  B6R0.3  CC(CN)C(=O)O BB58-0275 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  CCC(N)C(=O)O BB55-8838 [0,1,0,0,0,0|1,0,1]=3
12  B6R0.3  CN(C)C(=O)CCl BB20-1610 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.3  COC(=O)C(C)N BB55-6875 [0,1,0,0,0,0|1,0,1]=3
14  B6R0.3  CON(C)C(C)=O BB20-1414 [0,1,0,0,0,0|2,0,0]=3
15  B6R0.3  C\C=C(/Br)C(=O)O BB58-4520 [0,1,0,0,0,0|1,0,0]=2
16  B6R0.3  NCC(O)C(=O)O BB58-4543 [0,1,0,0,0,0|0,0,2]=3
17  B6R1.11  CC(=O)C1CC1 BB01-6094 [0,0,0,1,0,0|2,0,1]=4
18  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [0,0,0,0,0,1|2,0,0]=3
19  B3R0.2  CB(O)O BB55-7799 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.3  C#CC(=O)OC BB53-1265 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.3  CCC(=O)NN BB55-2154 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.3  CC\C(N)=N\O BB05-3255 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.3  CNC(=O)CCl BB20-1612 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.3  CNC(=O)CN BB58-0122 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.3  COC(=O)CN BB17-0807 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.3  COC(=O)NN BB17-2415 [1,1,0,0,0,0|2,0,0]=4
27  B5R0.4  CC(C)(C)C=O BB17-2240 [1,1,0,0,0,0|1,0,1]=4
28  B7R0.2  NCC(O)CC(=O)O BB57-4937 [0,1,0,0,0,1|0,0,2]=4
29  B7R0.5  C=C(C)C(=O)NCO BB57-4784 [0,2,0,0,0,0|1,0,0]=3
30  B7R0.5  CCOC(=O)C(=O)[O-] BB58-2852 [0,2,0,0,0,0|0,0,1]=3
31  B7R0.5  CCOC(=O)C(N)=S BB01-2471 [0,2,0,0,0,0|1,1,0]=4
32  B7R0.5  NCCC(N)C(=O)O BB57-6108 [0,2,0,0,0,0|1,0,1]=4
33  B7R0.14  COC(=O)C(C)(C)N BB55-8833 [0,2,0,0,0,0|1,0,1]=4
34  B7R0.15  N#CC(=NO)C(N)=O BB01-2565 [0,2,0,0,0,0|2,0,0]=4
35  B7R1.2  CC1=CC(O)=NO1 BB57-3975 [0,0,0,1,0,1|1,0,1]=4
36  B7R1.2  CC1=COC(N)=N1 BB01-7949 [0,0,0,1,0,1|2,0,0]=4
37  B7R1.2  CC1=NOC(N)=C1 BB05-3156 [0,0,0,1,0,1|2,0,0]=4
38  B7R1.20  O=C(O)CC1CC1 BB57-3745 [0,0,0,1,0,1|1,0,1]=4
39  B7R0.6  CC(=O)NCC(=O)O BB01-2573 [0,0,0,0,0,2|0,0,0]=2
40  B7R0.6  CC(C)OCC(=O)O BB55-5141 [0,0,0,0,0,2|1,0,1]=4