0  B6R0.6  CCNCCCN BBC/176 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.6  CCOCCNC BBC/039 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.2  CC\C=C\CC BBC/270 [1,0,0,0,0,0|0,0,2]=3
3  B5R0.2  CNCCOC BBB/960 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.1  N#CCCNCCO BBC/757 [0,1,0,0,0,0|1,1,1]=4
5  B7R0.1  NCCSSCCN BBC/119 [0,1,0,0,0,0|3,0,0]=4
6  B7R0.3  CCC(Cl)CCCCl BBC/272 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.4  CC(C)OCCC#N BBB/970 [0,1,0,0,0,0|2,0,1]=4
8  B7R0.4  CC(C)OCCCO BBB/1011 [0,1,0,0,0,0|1,1,0]=3
9  B7R0.7  CCOC(C)CNC BBB/937 [0,1,0,0,0,0|3,0,0]=4
10  B7R1.1  COC1=NCCC1 BBC/345 [0,0,0,1,0,0|2,0,1]=4
11  B6R0.1  CCNC(C)CC BBB/926 [1,1,0,0,0,0|1,0,0]=3
12  B6R0.1  CCOC(C)CN BBB/989 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.1  CCOC(C)CN BBC/008 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.1  CNCC(C)OC BBB/961 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.4  COCCNCCC#N BBC/746 [0,2,0,0,0,0|1,0,1]=4
16  B8R0.4  COCCNCCCN BBC/558 [0,2,0,0,0,0|1,0,0]=3
17  B8R0.4  N#CCCNCCCO BBC/019 [0,2,0,0,0,0|0,1,1]=4
18  B8R0.4  NCCCNCCCO BBC/041 [0,2,0,0,0,0|0,1,0]=3
19  B8R0.6  CCC(C)NCCC#N BBC/699 [0,2,0,0,0,0|1,0,1]=4
20  B8R0.6  CCCCCC(=O)NN BBB/658 [0,2,0,0,0,0|0,1,1]=4
21  B8R0.7  CCCNCCC(N)=O BBC/745 [0,2,0,0,0,0|0,1,1]=4
22  B8R0.7  O=C(O)CCCCCBr BBB/450 [0,2,0,0,0,0|0,1,1]=4
23  B6R1.1  C1CNCCN1 BBC/189 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.2  O=CN1CCCCC1 BBC/227 [0,1,0,1,0,0|0,1,1]=4
25  B8R1.8  CCNC1CCCC1 BBB/781 [0,1,0,1,0,0|1,0,0]=3
26  B8R1.8  N#CCC1CCCC1 BBC/280 [0,1,0,1,0,0|1,0,0]=3
27  B8R1.4  CC1CCCC(N)C1 BBB/985 [0,1,0,1,0,0|1,0,0]=3
28  B8R1.35  CC(C)NCC1CC1 BBB/917 [0,1,0,1,0,0|2,0,0]=4