0  B11R1.266  COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,0,0,0,0,0|2,0,0]=2
1  B11R1.266  COC1=NC=CC([C@H](C)N)=C1 32100 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.113  C[C@H](N)C1=CC(Br)=CN=C1 D96410 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.113  C[C@H](N)C1=CC(F)=CN=C1 Y11455 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.113  C[C@H](N)C1=CC=CC(Br)=N1 90541 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.113  C[C@H](N)C1=CC=CC(F)=N1 Y13928 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.113  C[C@H](N)C1=CC=CC(O)=C1 D85250 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.172  CCC1=CC=CC(NC)=N1 C77377 [1,0,0,0,0,0|2,0,0]=3
8  B10R1.172  COC1=NC(CN)=NC=C1 P10963 [1,0,0,0,0,0|3,0,0]=4
9  B12R1.56  COC1=C(C)C=CC(C(C)C)=C1 D76334 [0,1,0,0,0,0|2,0,0]=3
10  B12R1.56  COC1=C(I)C=CC(C(C)C)=C1 D70063 [0,1,0,0,0,0|2,0,0]=3
11  B12R1.279  CCOC1=CC([C@H](C)N)=CC=C1 Y13737 [0,1,0,0,0,0|3,0,0]=4
12  B12R1.435  CC[C@H](N)C1=CC=CC(OC)=N1 Y12187 [0,1,0,0,0,0|2,0,0]=3
13  B12R1.436  CCC1=CC=CC(C(C)(C)O)=C1 Y14421 [0,1,0,0,0,0|3,0,0]=4
14  B12R1.440  COC1=C(Cl)C([C@H](C)N)=CC=C1 Y13243 [0,1,0,0,0,0|3,0,0]=4
15  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y10290 [0,1,0,0,0,0|3,0,0]=4
16  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y11549 [0,1,0,0,0,0|3,0,0]=4
17  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y12980 [0,1,0,0,0,0|3,0,0]=4
18  B10R1.31  CC(C)C1=NC=C(C#N)O1 D96889 [0,0,0,0,1,0|3,0,0]=4
19  B10R1.31  COC1=NOC([C@H](C)N)=C1 98340 [0,0,0,0,1,0|3,0,0]=4
20  B11R1.21  CC(C)C1=NC(N)=C(Br)C=C1 P19476 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.23  CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.155  CC(C)(C)C1=CC(Br)=CN=C1 F50951 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.155  CC(C)(C)C1=CN=CC(N)=C1 Y11135 [1,1,0,0,0,0|2,0,0]=4
24  B11R1.155  CC(C)(F)C1=CN=CC(Cl)=N1 AT19890 [1,1,0,0,0,0|1,0,0]=3
25  B11R1.155  CC(C)(O)C1=CC=CC(Cl)=N1 C75048 [1,1,0,0,0,0|2,0,0]=4
26  B11R1.155  CC(C)(O)C1=CN=CC(Cl)=N1 AT19941 [1,1,0,0,0,0|1,0,0]=3
27  B11R1.155  CC(F)(F)C1=CN=CC(Cl)=N1 AT19882 [1,1,0,0,0,0|2,0,0]=4
28  B13R1.2430  COC1=CC(C(C)C)=C(OC)C=C1 Y14701 [0,2,0,0,0,0|2,0,0]=4
29  B11R2.35  ClC1=NC(C2CC2)=CN=C1 AT10664 [1,0,0,1,0,0|1,0,0]=3
30  B13R2.429  O=C(O)C1=NC(C2CC2)=CN=C1 94067 [0,1,0,1,0,0|2,0,0]=4
31  B13R2.2033  COC1=NC(C2(N)CC2)=CC=C1 50221 [0,1,0,1,0,0|1,0,0]=3
32  B9R1.35  CC(C)C1=NC=C(N)S1 D96767 [1,0,0,0,1,0|2,0,0]=4
33  B9R1.35  CC1=CC=C([C@H](C)N)O1 AT20911 [1,0,0,0,1,0|2,0,0]=4
34  B9R1.41  CC(C)C1=CN=CN1C F51223 [1,0,0,0,1,0|1,0,0]=3
35  B11R1.3  COC1=NC=C([C@H](C)N)C=C1 90832 [0,0,0,0,1,1|1,0,0]=3