0  B12R1.77  C/C=C(\C)/c1cccnc1CN AIFCHEM-94584209411 [0,1,0,0,0,0|3,0,0]=4
1  B12R1.77  C/C=C(\C)/c1cccnc1CO AIFCHEM-94584219301 [0,1,0,0,0,0|3,0,0]=4
2  B12R1.77  C/C=C(\C)/c1ncccc1CN AIFCHEM-94584215414 [0,1,0,0,0,0|3,0,0]=4
3  B12R1.77  C/C=C(\C)/c1ncccc1OC AIFCHEM-94584216276 [0,1,0,0,0,0|3,0,0]=4
4  B12R1.283  CCNc1ncccc1C(C)C AIFCHEM-94537412145 [0,1,0,0,0,0|2,0,1]=4
5  B12R1.283  CCNc1nccnc1C(C)C AIFCHEM-94537415733 [0,1,0,0,0,0|1,0,1]=3
6  B12R1.75  CC(=Cc1cccnc1CN)C AIFCHEM-6192832889 [0,0,0,0,0,1|3,0,0]=4
7  B12R1.75  CC(=Cc1ncccc1CO)C AIFCHEM-6376839449 [0,0,0,0,0,1|3,0,0]=4
8  B12R1.75  CC(=O)Nc1cccnc1CO AIFCHEM-94535597140 [0,0,0,0,0,1|2,0,0]=3
9  B12R1.75  COc1ccccc1NC(=O)C AIFCHEM-94535590793 [0,0,0,0,0,1|3,0,0]=4
10  B12R1.75  COc1cccnc1NC(=O)C AIFCHEM-94605337123 [0,0,0,0,0,1|2,0,0]=3
11  B12R1.75  CSc1ccccc1NC(=O)C AIFCHEM-5786942629 [0,0,0,0,0,1|3,0,0]=4
12  B12R1.75  CSc1cccnc1NC(=O)C AIFCHEM-94605347963 [0,0,0,0,0,1|2,0,0]=3
13  B12R1.75  CSc1ncccc1C=C(C)C AIFCHEM-6327138080 [0,0,0,0,0,1|3,0,0]=4
14  B11R1.41  CC=Cc1cccnc1NC AIFCHEM-5624892479 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.41  CC=Cc1ncccc1CO AIFCHEM-6367919885 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.41  CCNc1nccnc1OC AIFCHEM-94537421957 [1,1,0,0,0,0|1,0,0]=3
17  B11R1.222  C/C=C(\C)/c1nccnc1C AIFCHEM-94584210842 [1,1,0,0,0,0|1,0,0]=3
18  B11R1.222  C/C=C(\C)/c1nccnc1N AIFCHEM-94584215829 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.222  C/C=C(\C)/c1nccnc1O AIFCHEM-94584211749 [1,1,0,0,0,0|2,0,0]=4
20  B13R1.51  CC(=O)Nc1ncc(cc1CO)F AIFCHEM-94535588720 [0,1,0,0,0,1|2,0,0]=4
21  B13R1.51  COc1cc(cnc1NC(=O)C)Br AIFCHEM-5777331689 [0,1,0,0,0,1|2,0,0]=4
22  B13R1.51  COc1nc(ccc1NC(=O)C)C AIFCHEM-5648553749 [0,1,0,0,0,1|2,0,0]=4
23  B13R1.91  CCC(=O)Nc1ncccc1SC AIFCHEM-94526503907 [0,1,0,0,0,1|2,0,0]=4
24  B13R1.91  CCc1ccccc1NC(=O)CO AIFCHEM-94532683832 [0,1,0,0,0,1|2,0,0]=4
25  B13R1.380  CC=Cc1ncccc1NC(=O)C AIFCHEM-35985292680 [0,1,0,0,0,1|1,0,1]=4
26  B13R1.589  CC(=O)Nc1ncccc1C(C)C AIFCHEM-6104457973 [0,1,0,0,0,1|1,0,0]=3
27  B13R1.356  CCNc1cc(cnc1C(=O)O)Br AIFCHEM-94537426270 [0,2,0,0,0,0|2,0,0]=4
28  B13R1.2065  C/C=C(\C)/c1ncc(nc1OC)N AIFCHEM-94584211429 [0,2,0,0,0,0|2,0,0]=4
29  B13R1.382  CC=Cc1ncccc1C(=O)OC AIFCHEM-94589200249 [0,2,0,0,0,0|1,0,1]=4
30  B13R1.547  C/C=C(\C)/c1cccnc1[C@H](C)O AIFCHEM-94584217208 [0,2,0,0,0,0|2,0,0]=4
31  B13R1.572  CCCNc1cccnc1C(=O)N AIFCHEM-94569019278 [0,2,0,0,0,0|2,0,0]=4
32  B13R2.72  CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,0,0,1,0,1|1,0,0]=3
33  B13R2.268  CCNc1nccnc1C2CC2 AIFCHEM-94537412991 [0,1,0,1,0,0|1,0,1]=4