0  B7R0.1  CCCCCC[N+]#[C-] ISN-0019 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  COCCC[N+]#[C-] ISN-0107 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.2  C1CCNC(C1)CO C6A-0347 [0,0,0,1,0,0|1,0,0]=2
3  B8R1.2  [C-]#[N+]C1CCCCC1 ISN-0519 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.8  CCCC1CCCN1 C5A-0001 [0,0,0,1,0,0|2,0,0]=3
5  B8R1.8  CCCC1CCCN1 C5A-0001 [0,0,0,1,0,0|2,0,0]=3
6  B8R1.8  COCC1CCCN1 C5A-0029 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.8  CSCC1CCCN1 C5A-0003 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.8  CSCC1CCCN1 C5A-0003 [0,0,0,1,0,0|3,0,0]=4
9  B5R0.2  CCCC[N+]#[C-] ISN-0088 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.2  COCC[N+]#[C-] ISN-0740 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.3  CCCCC(CO)N BAL-0317 [1,1,0,0,0,0|0,0,0]=2
12  B7R0.3  CSCCC(CO)N BAL-0316 [1,1,0,0,0,0|1,0,0]=3
13  B7R1.1  C1CC(NC1)CO C5A-0373 [1,0,0,1,0,0|1,0,0]=3
14  B7R1.1  C1C[C@@H](NC1)CO C5A-0373 [1,0,0,1,0,0|1,0,0]=3
15  B9R1.8  CCCC1CCCCN1 C6A-0001 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.8  COCC1CCCCN1 C6A-0338 [0,1,0,1,0,0|1,0,0]=3
17  B9R1.8  COCC1CCNCC1 C64-0201 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.8  CSCC1CCCCN1 C6A-0354 [0,1,0,1,0,0|1,1,0]=4
19  B9R1.8  CSCC1CCCCN1 C6A-0354 [0,1,0,1,0,0|1,1,0]=4
20  B9R1.12  CCCCC1CCCN1 C5A-0061 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.12  CCCCC1CCNC1 C52-0302 [0,1,0,1,0,0|2,0,0]=4
22  B9R1.12  [C-]#[N+]CCN1CCCC1 ISN-0157 [0,1,0,1,0,0|2,0,0]=4
23  B9R1.89  [C-]#[N+]C1CCCCCC1 ISN-0090 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.11  CCC(C)C1CCCN1 C5A-0047 [0,1,0,1,0,0|2,0,0]=4
25  B9R1.6  CC(C)C1CCCCN1 C6A-0019 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.6  CC(C)C1CCCCN1 C6A-0019 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.13  CC(C)CC1CCCN1 C5A-0020 [0,1,0,1,0,0|2,0,0]=4