0  B13R1.3  C1=CC(=CC=C1CCC(=O)O)C#N C1258 [1,0,0,0,0,0|2,0,1]=4
1  B13R1.3  COC1=CC=C(C=C1)CNC(=S)N 10580 [1,0,0,0,0,0|2,1,0]=4
2  B13R1.133  C1=CC(=CC=C1CC(C(=O)O)N)Cl 10017 [1,0,0,0,0,0|2,0,1]=4
3  B13R1.133  C1=CC(=CC=C1CC(C(=O)O)N)F 5324 [1,0,0,0,0,0|2,0,1]=4
4  B13R1.133  C1=CC(=CC=C1C[C@@H](C(=O)O)N)Br 10461 [1,0,0,0,0,0|2,0,1]=4
5  B15R2.4834  COC1=CC2=C(C=C1)NC(=C2)C(=O)O 9738 [0,0,0,1,0,0|2,0,0]=3
6  B15R2.4834  COC1=CC2=C(C=C1)OC(=C2)C(=O)O 9288 [0,0,0,1,0,0|2,0,0]=3
7  B12R1.21  C1=CC(=CC=C1CCC(=O)O)Cl 6857 [2,0,0,0,0,0|1,0,1]=4
8  B12R1.21  C1=CC(=CC=C1CCC(=O)O)N 6107 [2,0,0,0,0,0|1,0,1]=4
9  B12R1.21  C1=CC(=CC=C1CCC(=O)O)O 10629 [2,0,0,0,0,0|0,0,1]=3
10  B12R1.21  C1=CC(=CC=C1NCC(=O)O)O 5493 [2,0,0,0,0,0|1,0,1]=4
11  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [2,0,0,0,0,0|0,0,1]=3
14  B12R1.21  c1cc(ccc1CCC(=O)O)Br B1115 [2,0,0,0,0,0|1,0,1]=4
15  B12R1.4  COC1=CC=C(C=C1)CC(=O)O 6794 [2,0,0,0,0,0|0,0,0]=2
16  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)N 5722 [2,0,0,0,0,0|1,0,1]=4
17  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)N 6844 [2,0,0,0,0,0|1,0,1]=4
18  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)N 9748 [2,0,0,0,0,0|1,0,1]=4
19  B12R1.43  C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [2,0,0,0,0,0|0,0,2]=4
20  B16R2.7604  COC1=CC2=C(C=C1)C=C(N2)C(=O)OC 9579 [0,1,0,1,0,0|1,0,1]=4
21  B12R1.5  COC1=CC=C(C=C1)C(=O)CBr 9861 [1,0,0,0,1,0|1,0,1]=4