0  B6R0.6  CCCCCNC BB57-3734 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  CCCCCNN BB12-2485 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  CCCSCCN BB53-1582 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.6  CCOCCNC BB57-2926 [0,0,0,0,0,0|4,0,0]=4
4  B6R0.6  CCSCCNC BB12-0971 [0,0,0,0,0,0|4,0,0]=4
5  B6R0.6  [C-]#[N+]CCCOC BB56-1464 [0,0,0,0,0,0|2,1,1]=4
6  B5R0.2  CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,0]=3
7  B5R0.2  CCSCCO BB54-1799 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.2  CNCCSC BB57-4145 [1,0,0,0,0,0|1,0,0]=2
9  B5R0.2  COCCNN BB58-0266 [1,0,0,0,0,0|2,1,0]=4
10  B5R0.2  CSCCC#N BB12-3714 [1,0,0,0,0,0|2,0,0]=3
11  B5R0.2  [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|2,0,1]=4
12  B5R0.2  [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|1,1,1]=4
13  B7R0.1  CCCCSCCN BB57-6671 [0,1,0,0,0,0|3,0,0]=4
14  B7R0.1  CCCCSCCO BB54-1800 [0,1,0,0,0,0|3,0,0]=4
15  B7R0.3  CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|3,0,0]=4
16  B7R0.4  CCCNCC(C)O BB58-2124 [0,1,0,0,0,0|3,0,0]=4
17  B7R0.4  CCCSCC(=O)O BB12-3263 [0,1,0,0,0,0|3,0,0]=4
18  B7R0.7  CCCC(N)CCC BB54-4015 [0,1,0,0,0,0|3,0,0]=4
19  B7R0.7  CNCC(O)COC BB17-0811 [0,1,0,0,0,0|2,1,0]=4
20  B7R1.1  CCC1CCCN1 BB55-8085 [0,0,0,1,0,0|3,0,0]=4
21  B7R1.1  CNC1CCCC1 BB53-1678 [0,0,0,1,0,0|3,0,0]=4
22  B7R1.6  CNCC1CCC1 BB12-1623 [0,0,0,1,0,0|3,0,0]=4
23  B7R1.7  CCCNC1CC1 BB55-3599 [0,0,0,1,0,0|3,0,0]=4
24  B7R1.24  C1CNCCNC1 BB12-2760 [0,0,0,1,0,0|3,0,0]=4
25  B7R1.24  C1CNCCOC1 BB57-0752 [0,0,0,1,0,0|2,1,0]=4
26  B4R0.2  CCCNN BB58-2805 [2,0,0,0,0,0|2,0,0]=4
27  B4R0.2  CNCCCl BB57-4776 [2,0,0,0,0,0|2,0,0]=4
28  B4R0.2  CNCCI BB57-4692 [2,0,0,0,0,0|2,0,0]=4
29  B4R0.2  CSCCCl BB53-1396 [2,0,0,0,0,0|1,0,0]=3
30  B4R0.2  CSCCN BB12-0970 [2,0,0,0,0,0|1,0,0]=3
31  B6R0.1  CC[C@H](N)COC BB20-3253 [1,1,0,0,0,0|1,1,0]=4
32  B6R0.1  CNCC(C)OC BB55-4648 [1,1,0,0,0,0|1,1,0]=4
33  B6R0.4  CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|2,0,0]=4
34  B6R0.4  CC(C)SCCN BB53-1544 [1,1,0,0,0,0|2,0,0]=4
35  B6R0.4  CC(C)SCCO BB53-1392 [1,1,0,0,0,0|2,0,0]=4
36  B6R0.4  CCNCC(C)O BB12-1676 [1,1,0,0,0,0|2,0,0]=4
37  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|2,0,0]=4
38  B6R0.4  COCCC(C)=O BB58-1056 [1,1,0,0,0,0|1,1,0]=4
39  B6R0.4  CSCCC(=N)N BB12-3715 [1,1,0,0,0,0|2,0,0]=4
40  B6R1.3  CCNC1CC1 BB57-0155 [1,0,0,1,0,0|2,0,0]=4
41  B6R1.3  CNCC1CC1 BB55-8900 [1,0,0,1,0,0|2,0,0]=4
42  B6R1.6  CNC1CCC1 BB58-0080 [1,0,0,1,0,0|2,0,0]=4
43  B8R1.2  CNC1CCSCC1 BB53-1643 [0,1,0,1,0,0|2,0,0]=4
44  B8R1.8  CSCC1CCCN1 BB56-0633 [0,1,0,1,0,0|2,0,0]=4