0  B6R0.6  CCCNCCC AB02251 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  COCCCON MB19791 [0,0,0,0,0,0|2,2,0]=4
2  B5R0.2  COCCON MB08235 [1,0,0,0,0,0|1,2,0]=4
3  B7R1.1  C1[C@@H](NCS1)C#N AB63804 [0,0,0,1,0,0|3,0,0]=4
4  B7R1.1  C1[C@H](NCS1)C#N AB63801 [0,0,0,1,0,0|3,0,0]=4
5  B7R1.1  CCC1CCCN1 AB12042 [0,0,0,1,0,0|3,0,0]=4
6  B7R1.1  CCC1CCNC1 AB41905 [0,0,0,1,0,0|3,0,0]=4
7  B7R1.1  CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.1  CNC1CCOC1 PB17482 [0,0,0,1,0,0|2,1,0]=4
9  B7R1.1  CN[C@@H]1CCOC1 PB30485 [0,0,0,1,0,0|2,1,0]=4
10  B7R1.1  CN[C@H]1CCOC1 PB11771 [0,0,0,1,0,0|2,1,0]=4
11  B7R1.1  COC1CCNC1 PB31357 [0,0,0,1,0,0|2,1,0]=4
12  B7R1.1  CO[C@@H]1CCNC1 PB20659 [0,0,0,1,0,0|2,1,0]=4
13  B7R1.1  CO[C@@H]1CCNC1 PB26535 [0,0,0,1,0,0|2,1,0]=4
14  B7R1.1  CO[C@H]1CCNC1 PB10788 [0,0,0,1,0,0|2,1,0]=4
15  B7R1.3  C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|3,0,0]=4
16  B7R1.3  CC1CCCNC1 AB00557 [0,0,0,1,0,0|3,0,0]=4
17  B7R1.6  CNCC1COC1 PB36516 [0,0,0,1,0,0|2,1,0]=4
18  B7R1.6  COCC1CNC1 PB23654 [0,0,0,1,0,0|2,1,0]=4
19  B6R1.2  CC1CCCN1 AB44503 [1,0,0,1,0,0|2,0,0]=4
20  B6R1.2  CC1CCNC1 AB41901 [1,0,0,1,0,0|2,0,0]=4
21  B6R1.2  C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.2  C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|2,0,0]=4
23  B6R1.2  C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|2,0,0]=4
24  B6R1.2  C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|2,0,0]=4
25  B6R1.2  C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|2,0,0]=4
26  B6R1.6  C1C(CS1)CN PB19286 [1,0,0,1,0,0|2,0,0]=4
27  B6R1.6  CNC1COC1 PB25068 [1,0,0,1,0,0|1,1,0]=4
28  B6R1.6  COC1CNC1 PB27751 [1,0,0,1,0,0|1,1,0]=4
29  B6R1.8  CS[C@@H]1C[C@H]1N MB69372 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.2  CSC1CCNCC1 PB22682 [0,1,0,1,0,0|2,0,0]=4
31  B8R2.42  C1C2(CN1)CSC2 PB22870 [0,0,0,2,0,0|2,0,0]=4