0  B15R1.12250  CC(C)CC1=CC=C(C=C1)C(C)C(=O)Cl PI-50610 [0,0,0,0,0,0|1,0,0]=1
1  B15R1.12250  CC(C)CC1=CC=C(C=C1)C(C)C(=O)O PI-24454 [0,0,0,0,0,0|0,0,0]=0
2  B15R1.12250  CC(C)CC1=CC=C(C=C1)C(C)C(=O)O PI-24504 [0,0,0,0,0,0|0,0,0]=0
3  B15R1.12250  CC(C)Cc1ccc(cc1)C(C)C(=O)O PI-12654 [0,0,0,0,0,0|0,0,0]=0
4  B14R1.805  CC(=O)NC1=CC=C(C=C1)CC(=O)O PI-21688 [1,0,0,0,0,0|2,0,1]=4
5  B14R1.6402  OC(=O)C(C)c1ccc(cc1)[N+](=O)[O-] PI-30268 [0,0,0,0,1,0|3,0,0]=4
6  B13R1.36  CC(C1=CC=C(C=C1)CBr)C(=O)O PI-31018 [2,0,0,0,0,0|1,0,0]=3
7  B13R1.36  CC(C1=CC=C(C=C1)CCl)C(=O)O PI-44150 [2,0,0,0,0,0|1,0,0]=3
8  B13R1.36  COC1=CC=C(C=C1)C(C(=O)O)N PI-36242 [2,0,0,0,0,0|2,0,0]=4
9  B13R1.36  COC1=CC=C(C=C1)C(C(=O)O)N PI-39650 [2,0,0,0,0,0|2,0,0]=4
10  B13R1.139  CCCC1=CC=C(C=C1)C(=NO)C PI-30822 [2,0,0,0,0,0|1,0,1]=4
11  B13R1.142  CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [2,0,0,0,0,0|1,0,0]=3
12  B13R1.585  CC(C)CC1=CC=C(C=C1)C(=O)C PI-12655 [2,0,0,0,0,0|0,0,1]=3
13  B13R1.585  CC(C)CC1=CC=C(C=C1)C(=O)O PI-28475 [2,0,0,0,0,0|1,0,1]=4
14  B13R1.585  OB(c1ccc(cc1)CC(C)C)O PI-25190 [2,0,0,0,0,0|2,0,0]=4
15  B15R1.3511  CC(C)(C1=CC=C(CCO)C=C1)C(O)=O PI-42466 [1,1,0,0,0,0|1,0,0]=3
16  B17R1.4465  CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)N PI-18279 [0,1,0,0,0,1|2,0,0]=4