0  B12R2.18  CC1C(=O)NC2=CC=CC=C21 M12096 [1,0,0,0,0,0|2,0,0]=3
1  B12R2.18  O=C1NC2=CC=CC=C2C1=O M19257 [1,0,0,0,0,0|1,0,1]=3
2  B12R1.225  O=C(O)C(O)c1cccc(O)c1 M20931 [0,0,1,0,0,0|3,0,0]=4
3  B11R1.159  CC1=C(O)C(C(=O)O)=CC=C1 M16090 [1,0,1,0,0,0|2,0,0]=4
4  B11R1.159  Nc1c(O)cccc1C(=O)O M19626 [1,0,1,0,0,0|2,0,0]=4
5  B11R1.36  O=C(O)C(O)C1=CC=CC=C1 M18892 [1,0,1,0,0,0|2,0,0]=4
6  B11R1.36  O=C(O)C(O)c1ccccc1 M19671 [1,0,1,0,0,0|2,0,0]=4
7  B11R1.157  CC(=O)NC1=CC=CC(O)=C1 M15352 [1,0,1,0,0,0|2,0,0]=4
8  B11R1.157  CC(=O)OC1=CC=CC(C)=C1 M19519 [1,0,1,0,0,0|2,0,0]=4
9  B11R1.40  C=CC(=O)Nc1ccccc1 M23998 [1,0,1,0,0,0|2,0,0]=4
10  B11R1.86  O=C(O)Cc1ccccc1O M20039 [1,0,1,0,0,0|2,0,0]=4
11  B11R2.1  ClC1=CNC2=C1C=CC=C2 M29561 [2,0,0,0,0,0|2,0,0]=4
12  B11R2.10  O=C1Cc2ccccc2N1 M22658 [2,0,0,0,0,0|1,0,0]=3
13  B11R2.10  O=C1NC2=CC=CC=C2N1 M15321 [2,0,0,0,0,0|0,0,0]=2
14  B11R2.10  S=C1NC2=CC=CC=C2S1 M23643 [2,0,0,0,0,0|1,1,0]=4
15  B13R1.2679  Cc1cc(Br)ccc1NC(=O)CCl M17695 [0,1,1,0,0,0|2,0,0]=4
16  B13R2.5190  O=C1Nc2cc(O)ccc2C1=O M29518 [1,1,0,0,0,0|1,0,1]=4
17  B15R2.6574  O=C1Nc2c(ccc(Cl)c2Cl)\C1=N/O M18160 [0,2,0,0,0,0|2,0,0]=4
18  B13R2.369  CN1Cc2ccccc2NC1=O M28377 [0,0,1,1,0,0|1,0,0]=3
19  B13R2.328  O=C1NC(=O)c2ccccc2N1 M21342 [1,0,0,0,0,1|1,0,1]=4
20  B13R2.328  O=c1cc(O)c2ccccc2o1 M22660 [1,0,0,0,0,1|2,0,0]=4