0  B5R0.2  CCSCCN BB53-1545 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.2  [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.2  CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.2  CSCCN BB12-0970 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  CCNC(C)CO BB12-1659 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.1  CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.4  CC(C)SCCCl BB53-1373 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.4  CC(C)SCCN BB53-1544 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.4  CC(C)SCCO BB53-1392 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.4  CCNCC(C)O BB12-1676 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.4  CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.6  CCCSCCN BB53-1582 [0,1,0,0,0,0|1,0,0]=2
12  B6R0.6  CCSCCNC BB12-0971 [0,1,0,0,0,0|1,0,0]=2
13  B6R1.2  O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|3,0,0]=4
14  B6R1.3  CC#CC1CC1 BB12-2979 [0,0,0,1,0,0|2,0,1]=4
15  B6R1.6  NCC1CCC1 BB12-1679 [0,0,0,1,0,0|3,0,0]=4
16  B3R0.1  [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.1  CCOC(C)=N BB12-3674 [1,1,0,0,0,0|0,1,1]=4
18  B5R0.1  CNCC(C)O BB12-1288 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.3  CCC(C)NC BB53-1672 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.3  CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.3  CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.3  CCN(C)CCCN BB12-1555 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.3  CCN(C)CCCO BB12-3254 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.7  CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.7  CCOC(=N)CCCl BB12-2325 [0,2,0,0,0,0|1,1,0]=4
26  B7R0.7  CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|1,1,0]=4
27  B7R0.12  CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,1,0]=4
28  B7R0.4  CC(C)CCCCO BB12-2305 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.4  CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.4  CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.6  CC(C)CNC(C)C BB12-1371 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.1  CCCCOCCN BB53-1642 [0,2,0,0,0,0|1,1,0]=4
33  B7R0.1  [C-]#[N+]CCCCCC BB56-1203 [0,2,0,0,0,0|2,0,0]=4
34  B7R1.1  CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.3  NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|1,1,0]=4
36  B7R1.3  OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|1,1,0]=4
37  B7R1.3  OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|1,0,0]=3
38  B7R1.6  CNCC1CCC1 BB12-1623 [0,1,0,1,0,0|2,0,0]=4
39  B7R1.24  C1CNCCNC1 BB12-2760 [0,1,0,1,0,0|2,0,0]=4