0  B13R2.155  C1=CC(=CC2=C1C=CC(=O)O2)O 8638 [1,0,0,0,0,0|2,0,0]=3
1  B13R2.3683  C1=CC2=C(C=CC(=C2)Br)C=C1N 6704 [1,0,0,0,0,0|2,1,0]=4
2  B13R2.3683  CC1=NC2=C(C=C1)C=C(C=C2)Cl 6538 [1,0,0,0,0,0|3,0,0]=4
3  B13R2.3028  C1=CC2=C(C=C1Br)C(=O)C(=O)N2 6717 [0,0,0,0,1,0|1,1,1]=4
4  B13R2.3028  C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 6054 [0,0,0,0,1,0|1,0,1]=3
5  B13R2.3028  C1=CC2=C(C=C1F)C(=O)C(=O)N2 6400 [0,0,0,0,1,0|1,1,1]=4
6  B13R2.3028  Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,0,0,0,1,0|2,0,1]=4
7  B13R2.5190  C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,0,0,0,1,0|0,1,1]=3
8  B13R2.5190  C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,0,0,0,1,0|0,1,1]=3
9  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [1,0,1,0,0,0|1,1,0]=4
10  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [1,0,1,0,0,0|1,1,0]=4
11  B12R1.21  C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [1,0,1,0,0,0|2,0,0]=4
12  B12R1.127  C1=CC(=C(C=C1Cl)CC(=O)O)F 9666 [1,0,1,0,0,0|2,0,0]=4
13  B12R1.233  C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [1,0,1,0,0,0|1,0,1]=4
14  B12R2.24  C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [2,0,0,0,0,0|2,0,0]=4
15  B12R2.24  C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [2,0,0,0,0,0|1,0,1]=4
16  B12R2.24  C1=CC=C2C=C(C=CC2=C1)Br 8120 [2,0,0,0,0,0|1,1,0]=4
17  B12R2.24  C1=CC=C2C=C(C=CC2=C1)O 5805 [2,0,0,0,0,0|1,0,0]=3
18  B12R2.24  c1cc2ccc(cc2nc1)O 5993 [2,0,0,0,0,0|1,0,1]=4
19  B14R2.2332  C1=CC2=C(C=CC(=C2)O)C=C1C#N 10490 [1,1,0,0,0,0|2,0,0]=4
20  B14R2.2332  COC1=CC2=C(C=C1)C=C(C=C2)Br 8840 [1,1,0,0,0,0|1,1,0]=4
21  B12R2.132  CC1=CSC2=C1C=C(C=C2)Cl 6233 [1,0,0,0,1,0|2,0,0]=4
22  B12R2.606  C1=CC2=C(C=C1N)NC(=O)N2 6498 [1,0,0,0,1,0|2,0,0]=4
23  B12R2.18  CC1=C(NC2=CC=CC=C12)C 8616 [1,0,0,0,1,0|2,0,0]=4
24  B12R2.18  Cc1c([nH]c2c1cccc2)C D0124 [1,0,0,0,1,0|2,0,0]=4