0  B10R1.66  CC(=O)CCN1C=CC=N1 4033649 [0,0,0,0,0,0|2,0,2]=4
1  B10R1.66  O=C(O)CCC1=CC=NO1 4018161 [0,0,0,0,0,0|2,0,2]=4
2  B10R1.66  O=C(O)\C=C\C1=CC=CS1 3002329 [0,0,0,0,0,0|1,1,0]=2
3  B11R1.25  O=C(CBr)NCC1=CC=CO1 4023685 [0,1,0,0,0,0|1,0,1]=3
4  B11R1.25  O=C(CCl)NCC1=CC=CO1 3015664 [0,1,0,0,0,0|1,0,1]=3
5  B11R1.35  NC(CC1=CC=CO1)C(=O)O 4141555 [0,1,0,0,0,0|1,0,2]=4
6  B11R2.36  CC1=CC=C2NN=CC2=C1 4028132 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.13  CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,1,0|0,1,1]=3
8  B9R1.13  CC(=O)CN1C=CC=N1 4027130 [0,0,0,0,1,0|2,0,1]=4
9  B8R1.8  CNCC1=CC=CO1 2102243 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.27  CCC(=O)CC1=CC=CO1 4027298 [1,1,0,0,0,0|0,0,2]=4
11  B12R1.21  CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,0,0,0,1|2,0,0]=4
12  B12R1.21  O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,1,0,0,0,1|2,0,0]=4
13  B12R1.226  NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,0,0,0,1|2,0,0]=4
14  B12R1.51  O=C(CCCl)NCC1=CC=CO1 5344117 [0,2,0,0,0,0|1,0,1]=4
15  B12R1.59  O=C(O)\C=C\C1=CC(CO)=CS1 4009596 [0,2,0,0,0,0|1,1,0]=4
16  B10R1.18  CC(=O)CC1=CC=CN=C1 4301933 [0,0,1,1,0,0|1,0,1]=4
17  B10R1.18  CC(=O)CC1=NC=CC=C1 4301932 [0,0,1,1,0,0|1,0,1]=4
18  B10R1.61  CC(=O)C1=CC=CNC1=O 4048059 [0,0,1,1,0,0|1,0,1]=4
19  B10R1.61  CC(N)C1=C(O)C=CC=C1 4027030 [0,0,1,1,0,0|1,0,1]=4
20  B10R1.30  CC1=CC=C(O)C(C=O)=N1 4034766 [0,0,1,1,0,0|2,0,0]=4
21  B10R1.113  CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,0,1,1,0,0|2,0,0]=4
22  B10R1.113  NC(=O)C1=CN=CC(O)=C1 5511865 [0,0,1,1,0,0|2,0,0]=4
23  B12R2.44  NCC1=CC2=C(C=C1)SC=C2 4011487 [0,1,0,1,0,0|1,1,0]=4
24  B12R2.44  NCC1=CC2=C(C=C1)SC=C2 4088291 [0,1,0,1,0,0|1,1,0]=4
25  B12R2.44  OCC1=CC2=C(C=C1)NC=C2 4027611 [0,1,0,1,0,0|2,0,0]=4
26  B12R2.252  O=C(O)C1=CC2=C(C=CS2)N1 4012315 [0,1,0,1,0,0|1,1,0]=4
27  B12R2.606  CC1=CC2=C(C=C1)OC(N)=N2 4007276 [0,1,0,1,0,0|2,0,0]=4
28  B12R2.606  CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,1,0,1,0,0|1,0,1]=4
29  B12R2.606  CC1=CC=C2OC(=O)NC2=C1 4035617 [0,1,0,1,0,0|2,0,0]=4
30  B8R1.7  CC(=O)C1=NC=CN1 4040695 [0,0,0,0,2,0|2,0,0]=4
31  B8R1.7  N=C(N)C1=CC=CO1 4030998 [0,0,0,0,2,0|2,0,0]=4