0  B13R1.45  C1=CC=C(C=C1)C(=O)NCC(=O)O S5618 [1,0,0,0,0,0|1,0,0]=2
1  B13R1.45  C1=CC=C(C=C1)C(=O)NCC(=O)O S9466 [1,0,0,0,0,0|1,0,0]=2
2  B15R1.5793  C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N S5839 [0,1,0,0,0,0|1,0,0]=2
3  B15R1.5793  C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N S5839 [0,1,0,0,0,0|1,0,0]=2
4  B15R2.6  C1=CC=C2C(=C1)C(=CN2)CCC(=O)O S4809 [0,0,0,1,0,0|2,0,0]=3
5  B15R2.14951  C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O S4719 [0,0,0,1,0,0|1,0,2]=4
6  B15R2.14951  C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O S4719 [0,0,0,1,0,0|1,0,2]=4
7  B15R2.14951  C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O S4208 [0,0,0,1,0,0|0,0,2]=3
8  B12R1.252  C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [2,0,0,0,0,0|0,0,2]=4
9  B12R1.252  C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [2,0,0,0,0,0|0,0,2]=4
10  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [1,1,0,0,0,0|1,0,0]=3
11  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [1,1,0,0,0,0|1,0,0]=3
12  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [1,1,0,0,0,0|1,0,1]=4
13  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [1,1,0,0,0,0|1,0,1]=4
14  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [1,1,0,0,0,0|1,0,1]=4
15  B14R2.8051  C1=CC2=C(C(=O)C=CC2=O)C(=C1)O S5512 [1,0,0,1,0,0|0,0,2]=4
16  B14R2.8051  C1=CC2=C(C(=O)C=CC2=O)C(=C1)O S5512 [1,0,0,1,0,0|0,0,2]=4
17  B14R2.2  C1=CC=C2C(=C1)C(=CN2)CC(=O)O S4799 [0,0,0,1,1,0|2,0,0]=4
18  B16R2.36  C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O S2253 [0,0,0,1,0,1|2,0,0]=4
19  B16R2.36  C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O S2253 [0,0,0,1,0,1|2,0,0]=4
20  B16R2.36  C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O S2253 [0,0,0,1,0,1|2,0,0]=4
21  B16R2.36  C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O S2253 [0,0,0,1,0,1|2,0,0]=4
22  B16R2.36  C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O S2253 [0,0,0,1,0,1|2,0,0]=4
23  B16R2.12  C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N S3987 [0,1,0,1,0,0|2,0,0]=4
24  B16R2.12  C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N S6253 [0,1,0,1,0,0|2,0,0]=4
25  B14R1.420  C1=CC=C(C=C1)C(=O)NCCC(=O)O S4191 [1,0,0,0,0,1|0,0,0]=2