0  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 CS11469 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 MC115410 [0,0,0,0,0,0|0,0,0]=0
2  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 MC21016 [1,0,0,0,0,0|2,0,1]=4
3  B14R1.6402  CC(C(=O)O)C1=CC=C([N+](=O)[O-])C=C1 MC442717 [0,0,0,0,1,0|3,0,0]=4
4  B13R1.36  COC1=CC=C(C(C)C(=O)O)C=C1 MC106807 [2,0,0,0,0,0|1,0,0]=3
5  B13R1.36  COC1=CC=C(C(O)C(=O)O)C=C1 CS14677 [2,0,0,0,0,0|2,0,0]=4
6  B13R1.36  COC1=CC=C(C(O)C(=O)O)C=C1 CS20288 [2,0,0,0,0,0|2,0,0]=4
7  B13R1.142  CCCC1=CC=C(CC(=O)O)C=C1 MC40189 [2,0,0,0,0,0|0,0,0]=2
8  B13R1.585  CC(=O)c1ccc(CC(C)C)cc1 MC433246 [2,0,0,0,0,0|0,0,1]=3
9  B13R1.585  CC(C)CC1=CC=C(B(O)O)C=C1 MC441536 [2,0,0,0,0,0|2,0,0]=4
10  B13R1.585  CC(C)CC1=CC=C(C(C)N)C=C1 MC431337 [2,0,0,0,0,0|1,0,0]=3
11  B17R1.4465  CC(C)(C)Oc1ccc(CC(N)C(=O)O)cc1 MC427214 [0,1,0,0,0,1|2,0,0]=4
12  B17R1.4465  CC(C)(C)Oc1ccc(CC(N)C(=O)O)cc1 MC438275 [0,1,0,0,0,1|2,0,0]=4
13  B17R1.4465  CC(C)(C)Oc1ccc(CC(N)C(=O)O)cc1 MC438276 [0,1,0,0,0,1|2,0,0]=4
14  B15R1.499  O=C(O)CC1=CC=C(OCC(F)F)C=C1 MC112362 [1,0,0,0,0,1|2,0,0]=4
15  B15R1.5504  CC(C)C1=CC=C(C(N)CC(=O)O)C=C1 CS22053 [0,0,0,0,1,1|1,0,0]=3