0  B6R0.6  CCCCCCO TN6891 [1,0,0,0,0,0|3,0,0]=4
1  B8R0.5  CCCC(C)OC(N)=O T32052 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.5  CCOC(=O)CC(C)O T19314 [0,1,0,0,0,0|2,0,1]=4
3  B8R0.30  CCOP(O)(=O)OCC T7192 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.4  CC1CCCC(C)N1 T1007 [0,0,0,1,0,0|2,0,0]=3
5  B8R1.4  CC1CCOC(C)O1 T21290 [0,0,0,1,0,0|0,0,0]=1
6  B5R0.1  C[C@@H](CCO)O T9257 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.1  C[C@@H](O)CCO T19538 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.2  CCCSSC T39668 [2,0,0,0,0,0|1,1,0]=4
9  B5R0.3  CC(CCl)CCl T31230 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.10  CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|2,0,0]=4
12  B7R0.1  CCCCCCCO TN6893 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.1  CNCCOCCO T32120 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.1  COCCOCCBr T18161 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.1  COCCOCCN T15842 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.6  CCOC(C)C(=O)C(O)O T25570 [0,2,0,0,0,0|2,0,0]=4
17  B7R1.3  CC1CCOCO1 T21291 [1,0,0,1,0,0|1,0,0]=3
18  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,1]=4
19  B7R1.3  O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.4  CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,1]=4
21  B9R1.8  CCCC1NCCCC1 TN3695 [0,1,0,1,0,0|2,0,0]=4