0  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 SBB064160 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 SBB072146 [1,0,0,0,0,0|2,0,1]=4
2  B16R1.1636  CC(C)CC1=CC=C(C(C)C(=O)NN)C=C1 SBB096015 [0,1,0,0,0,0|1,0,0]=2
3  B16R1.1282  CC(C)OC1=CC=C(C(N)CC(=O)O)C=C1 SBB001795 [0,0,0,0,0,1|2,0,0]=3
4  B13R1.36  COC1=CC=C([C@@H](O)C(=O)O)C=C1 SBB063581 [2,0,0,0,0,0|2,0,0]=4
5  B13R1.139  CCCC1=CC=C(\C(C)=N\O)C=C1 SBB089292 [2,0,0,0,0,0|1,0,1]=4
6  B13R1.142  CCOC1=CC=C(CC(=O)O)C=C1 SBB077880 [2,0,0,0,0,0|1,0,0]=3
7  B13R1.585  CC(=O)C1=CC=C(CC(C)C)C=C1 SBB007668 [2,0,0,0,0,0|0,0,1]=3
8  B13R1.585  CC(=O)C1=CC=C(OC(C)C)C=C1 SBB089435 [2,0,0,0,0,0|1,0,1]=4
9  B13R1.585  CC(C)OC1=CC=C(C(C)N)C=C1 SBB010642 [2,0,0,0,0,0|2,0,0]=4
10  B17R1.4465  CC(C)(C)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB063921 [0,1,0,0,0,1|2,0,0]=4
11  B13R1.537  C\C(=N/O)C1=CC=C(C(C)C)C=C1 SBB020244 [1,0,0,0,1,0|1,0,1]=4
12  B15R1.15  CCOC1=CC=C(C(N)CC(=O)O)C=C1 SBB000483 [1,0,0,0,0,1|2,0,0]=4
13  B15R1.16  CCCC1=CC=C(OC(C)C(=O)O)C=C1 SBB073607 [1,0,0,0,0,1|0,0,0]=2
14  B15R1.16  CCOC1=CC=C(OC(C)C(=O)O)C=C1 SBB009235 [1,0,0,0,0,1|1,0,0]=3
15  B15R1.499  O=C(O)CC1=CC=C(OCC(F)F)C=C1 SBB024262 [1,0,0,0,0,1|2,0,0]=4
16  B15R1.495  CC(C)C1=CC=C(OC(C)C(=O)O)C=C1 SBB030021 [0,0,0,0,1,1|0,0,0]=2
17  B15R1.495  CN(C)C1=CC=C(CC(N)C(=O)O)C=C1 SBB080823 [0,0,0,0,1,1|2,0,0]=4