0  B7R1.4  C1[C@H](C(=O)NO1)N NPA001237 [0,1,0,0,0,0|1,1,0]=3
1  B7R1.4  CC1=NCNC1=O NPA003654 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.1  C(CO)C(=O)O NPA014979 [0,0,1,0,0,0|1,1,0]=3
3  B5R0.1  C=C(C)CCO NPA031414 [0,0,1,0,0,0|1,1,0]=3
4  B5R0.1  CC(=CCO)C NPA031413 [0,0,1,0,0,0|1,1,1]=4
5  B5R0.2  CSCSSC NPA000854 [0,0,1,0,0,0|3,0,0]=4
6  B4R0.1  C(C(=O)O)F NPA003759 [1,0,1,0,0,0|1,1,0]=4
7  B4R0.1  CC(=O)C=O NPA018043 [1,0,1,0,0,0|0,1,1]=4
8  B6R0.1  CCCC(=O)CC NPA012016 [0,1,1,0,0,0|1,0,0]=3
9  B6R0.3  CC(CO)C(=O)O NPA011485 [0,1,1,0,0,0|1,1,0]=4
10  B6R0.4  CC(=O)CCSC NPA010578 [0,1,1,0,0,0|0,0,0]=2
11  B6R0.4  CS/C=C/C(=O)O NPA005711 [0,1,1,0,0,0|1,0,1]=4
12  B6R0.4  C[C@H](CCSC)O NPA014443 [0,1,1,0,0,0|0,0,2]=4
13  B8R1.4  CC1=CC(=O)CCO1 NPA016314 [0,1,0,0,0,1|0,1,1]=4
14  B8R1.1  CCC1CC(=O)OC1 NPA004245 [0,2,0,0,0,0|2,0,0]=4
15  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,1,1,0,0|0,1,0]=3
16  B6R1.1  C1CSCCS1 NPA010361 [0,0,1,1,0,0|0,1,1]=4
17  B8R1.22  C1CC=CCC(=O)C1 NPA016451 [0,0,0,0,0,2|1,0,0]=3