0  B6R0.6  CCCCCC=C NuBBE_2125 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.6  CCCCCC=O NuBBE_1379 [0,0,0,0,0,0|1,0,2]=3
2  B6R0.6  CCCCCCC NuBBE_2116 [0,0,0,0,0,0|2,0,0]=2
3  B6R0.6  CSSSCC=C NuBBE_1976 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.2  CCCCC=C NuBBE_2124 [1,0,0,0,0,0|1,0,1]=3
5  B5R0.2  CCCCCC NuBBE_2120 [1,0,0,0,0,0|1,0,0]=2
6  B5R0.2  CSSCC=C NuBBE_1972 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.1  CCCCCCC=C NuBBE_2122 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.1  CCCCCCC=O NuBBE_1378 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.1  CCCCCCCC NuBBE_2121 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.1  CCCCCCCO NuBBE_1375 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.1  CCCSSCCC NuBBE_398 [0,1,0,0,0,0|3,0,0]=4
12  B7R1.1  CCC1=CCCC1 NuBBE_2135 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.3  CC1=CCCCC1 NuBBE_2134 [0,0,0,1,0,0|2,0,0]=3
14  B7R1.3  CC1CCCCC1 NuBBE_2126 [0,0,0,1,0,0|2,0,0]=3
15  B6R0.1  CCC[C@@H](CC)O NuBBE_1376 [1,1,0,0,0,0|1,0,0]=3
16  B8R0.4  CCCCCCCC=C NuBBE_2114 [0,2,0,0,0,0|2,0,0]=4
17  B8R0.4  CCCCCCCC=O NuBBE_1383 [0,2,0,0,0,0|1,0,1]=4
18  B8R0.4  CCCCCCCCC NuBBE_2123 [0,2,0,0,0,0|2,0,0]=4
19  B8R1.2  CCC1=CCCCC1 NuBBE_2137 [0,1,0,1,0,0|2,0,0]=4
20  B8R1.2  CCC1CCCCC1 NuBBE_2127 [0,1,0,1,0,0|2,0,0]=4