0  B9R1.35  CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.35  CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,0,0|0,0,0]=0
2  B8R1.1  CC1=CC=C(O1)C=O S9381 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.7  C1=CNC(=C1)C(=O)O S5832 [1,0,0,0,0,0|1,0,1]=3
4  B8R1.7  C1=COC(=C1)C(=O)O S4864 [1,0,0,0,0,0|2,0,0]=3
5  B8R1.7  C1=COC=C1C(=O)O S6097 [1,0,0,0,0,0|2,0,0]=3
6  B10R1.31  C1=C(OC(=C1)C(=O)O)CO S6081 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,1|3,0,0]=4
9  B10R1.13  C1=CC(=CC=C1C(=O)O)O S3754 [0,0,0,0,0,1|3,0,0]=4
10  B10R1.13  C1=CC(=O)NC=C1C(=O)O S6285 [0,0,0,0,0,1|2,0,0]=3
11  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O S6367 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.113  C[N+]1=CC=CC(=C1)C(=O)O S3802 [0,0,0,0,0,1|3,0,0]=4
13  B7R0.4  CC=CC=CC(=O)O S4983 [1,0,1,0,0,0|2,0,0]=4
14  B7R0.5  CCC=C(C)C(=O)O S6327 [1,0,1,0,0,0|1,0,1]=4
15  B7R0.6  C(=CC(=O)O)C(=O)O S4952 [1,0,1,0,0,0|2,0,0]=4
16  B7R0.6  C(=CC(=O)O)C(=O)O S5340 [1,0,1,0,0,0|2,0,0]=4
17  B9R1.11  COC(=O)C1=CC=CO1 S5636 [1,1,0,0,0,0|2,0,0]=4
18  B11R1.21  CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3
19  B11R1.21  CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3
20  B11R1.21  CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3
21  B11R1.166  CC1=CC(=C(C=C1)C(=O)O)O S5519 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.74  C1=C(NC(=O)NC1=O)C(=O)O S2336 [0,1,0,0,0,1|1,0,1]=4
23  B11R1.266  COC1=CC=CC(=C1)C(=O)O S6025 [0,1,0,0,0,1|2,0,0]=4
24  B9R1.6  C1=CC=NC(=C1)C(=O)O S6249 [0,0,1,1,0,0|1,0,1]=4