0  B11R1.21  CC1=CC=C(OC1=O)C(=O)C NPA003401 [0,0,0,0,0,0|2,0,2]=4
1  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O NPA007061 [1,0,0,0,0,0|2,0,1]=4
2  B10R1.113  CC1=CC=CC(=C1)C(=O)C NPA016953 [1,0,0,0,0,0|2,0,1]=4
3  B10R1.176  OCC1=CC(=C(C=C1)O)O NPA032543 [1,0,0,0,0,0|2,0,0]=3
4  B12R1.56  CC1=C(C=C(C=C1)[N+](=O)[O-])CO NPA009720 [0,1,0,0,0,0|3,0,0]=4
5  B12R1.367  C/C=C(\C)/C1=CC=C(C(=O)O1)C NPA019445 [0,1,0,0,0,0|1,0,2]=4
6  B12R1.367  CC[C@@H](C)C1=CC=C(C(=O)O1)C NPA030114 [0,1,0,0,0,0|1,0,1]=3
7  B12R1.1005  CC1=C(C=C(OC1=O)C(C)C)O NPA011938 [0,1,0,0,0,0|1,0,0]=2
8  B9R0.1  C/C=C(/C)\C=C\C=C(C)C NPA004953 [1,0,1,0,0,0|0,0,2]=4
9  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [2,0,0,0,0,0|2,0,0]=4
10  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [2,0,0,0,0,0|2,0,0]=4
11  B9R1.2  OCC1=CC(=CC=C1)O NPA032542 [2,0,0,0,0,0|1,0,0]=3
12  B9R1.69  OC1=CC(=C(C=C1)O)O NPA032540 [2,0,0,0,0,0|2,0,0]=4
13  B11R0.92  C/C=C(\C)/C=C(\C)/C(=O)C(C)C NPA017028 [0,1,1,0,0,0|2,0,0]=4
14  B11R1.22  OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.74  CC(=O)C1=CC(=CC(=C1)O)O NPA013507 [1,1,0,0,0,0|1,0,1]=4
16  B11R1.14  CCC1=CC(=C(C(=O)O1)C)O NPA000741 [1,1,0,0,0,0|1,0,0]=3
17  B11R1.277  CC1=CC(=O)C(=CC1=O)OC NPA006462 [1,1,0,0,0,0|1,0,1]=4
18  B11R1.277  COC1=C(C=C(C(=C1)C)C)C NPA028052 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.279  COC1=C(C=C(C=C1)CO)Br NPA009653 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.279  COC1=C(C=C(C=C1)CO)Cl NPA016188 [1,1,0,0,0,0|2,0,0]=4
21  B13R1.52  CC1=NC=C(N=C1OC)CC(C)C NPA014868 [0,1,0,0,0,1|2,0,0]=4
22  B13R1.3763  CC(=O)CC1=CC(=C(C(=C1)O)C)O NPA030216 [0,1,0,0,0,1|1,0,1]=4
23  B13R1.3763  CC1=C(C=C(C=C1O)C[C@H](C)O)O NPA021762 [0,1,0,0,0,1|1,0,0]=3
24  B13R1.3763  CC1=C(C=C(OC1=O)CC(C)C)O NPA021557 [0,1,0,0,0,1|1,0,0]=3
25  B13R1.272  CC[C@@](C)(O)C1=CC=C(C(=O)O1)C NPA030119 [0,2,0,0,0,0|1,0,1]=4
26  B13R1.3088  CCC1=CC=C(OC1=O)[C@H](C)CC NPA030115 [0,2,0,0,0,0|1,0,1]=4
27  B13R1.3088  CC[C@@H](C)C1=CC=C(C(=O)O1)CO NPA030116 [0,2,0,0,0,0|1,0,1]=4
28  B13R1.3380  CCC1=C(C=C(OC1=O)C(C)C)O NPA002297 [0,2,0,0,0,0|1,0,0]=3
29  B13R1.49  CCC(C)C1=CN=C(C(=N1)OC)C NPA005475 [0,2,0,0,0,0|2,0,0]=4
30  B13R1.298  CC1=C(C=C(OC1=O)C(C)O)OC NPA008698 [0,2,0,0,0,0|2,0,0]=4
31  B13R1.2678  CCC(C)C1=CC(=C(C(=O)O1)C)O NPA011375 [0,2,0,0,0,0|1,0,0]=3
32  B11R1.157  CC(O)CC1=CC(=CN=C1)O NPA031499 [1,0,0,0,0,1|2,0,0]=4