0  B6R0.1  CCCC(=O)CC NPA012016 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  C(CO)C(=O)O NPA014979 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  C=C(C)CCO NPA031414 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.1  CC(=CCO)C NPA031413 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.3  CCCCC(C)C=C NPA006261 [0,1,0,0,0,0|1,0,2]=4
5  B7R1.2  CC1=CC=C(O1)C NPA006894 [0,0,0,1,0,0|2,0,1]=4
6  B7R1.4  CC1=NCNC1=O NPA003654 [0,0,0,1,0,0|2,0,0]=3
7  B7R1.15  O=C1C=C(C1=O)O NPA028987 [0,0,0,1,0,0|2,0,1]=4
8  B4R0.1  C(C(=O)O)F NPA003759 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.1  C=CC(=C)C NPA031266 [2,0,0,0,0,0|0,0,1]=3
10  B4R0.1  CC(=O)C=O NPA018043 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,1,0,0,0,0|0,0,2]=4
12  B6R0.4  CC(=O)CCSC NPA010578 [1,1,0,0,0,0|0,0,1]=3
13  B6R0.4  CS/C=C/C(=O)O NPA005711 [1,1,0,0,0,0|1,0,1]=4
14  B6R1.8  C1C(C1=O)CO NPA020911 [1,0,0,1,0,0|1,0,1]=4
15  B6R1.12  C=C1C(C1=O)O NPA015715 [1,0,0,1,0,0|1,0,1]=4
16  B8R1.1  CCC1=CC=C(O1)C NPA011916 [0,1,0,1,0,0|1,0,0]=3
17  B8R1.4  CC1=CC(=O)CCO1 NPA016314 [0,1,0,1,0,0|1,0,0]=3
18  B8R1.18  CC1=CC(=C(O1)C)C NPA002957 [0,1,0,1,0,0|0,0,2]=4
19  B8R1.50  CN1C(=O)CNC1=O NPA006307 [0,1,0,1,0,0|2,0,0]=4