0  B10R1.25  CC1=CC(C)=C(CN)C=N1 4003180 [0,0,0,0,0,0|3,0,1]=4
1  B10R1.25  NCC1=C(O)C=C(O)C=C1 4089662 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.1  CC1=CN=C(CN)C=C1 4010338 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.1  CC1=CN=C(CN)C=C1 4089721 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.15  CC1=NC=CN=C1C=O 4030187 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [1,0,0,0,0,0|1,0,2]=4
6  B9R1.69  CC1=CN=C(N)C(C)=C1 4090966 [1,0,0,0,0,0|3,0,0]=4
7  B11R1.81  CC1=CC(Cl)=C(N=C=O)C=C1 3001940 [0,1,0,0,0,0|1,0,1]=3
8  B11R1.166  CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,0|2,0,0]=3
9  B11R2.36  ClC1=CC2=C(C=CN2)C=C1 3020088 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.2  O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.1  CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|1,0,1]=4
12  B10R1.3  CCC1=CC=C(C=O)N=C1 4019624 [1,1,0,0,0,0|1,0,0]=3
13  B10R1.13  CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|1,0,0]=3
14  B10R1.13  CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.13  N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|2,0,0]=4
16  B10R1.13  N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|2,0,0]=4
17  B10R1.4  O=C=NC1=CC=CC=C1Br 3020265 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.20  CNC1=NC=CC=C1C=O 4090184 [1,1,0,0,0,0|2,0,0]=4
19  B10R1.61  CC(=O)C1=CC=CN=C1Cl 4031453 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.61  CC(N)C1=C(O)C=CC=C1 4088363 [1,1,0,0,0,0|1,0,1]=4
21  B10R1.119  CC1=CC=C(N)C(N)=C1C 3002687 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.194  CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,1,0|2,0,0]=4
23  B10R1.194  CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,1,0|2,0,0]=4
24  B12R1.1703  CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.1703  NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,2,0,0,0,0|1,0,0]=3
26  B12R1.1000  CC1=CC(=O)C(C(=O)O)=C(C)N1 4088153 [0,2,0,0,0,0|1,0,1]=4
27  B12R1.449  COC1=CC(C=O)=C(Br)C=C1O 3004167 [0,2,0,0,0,0|2,0,0]=4
28  B12R1.449  COC1=CC(C=O)=C(Cl)C=C1O 4004195 [0,2,0,0,0,0|2,0,0]=4
29  B12R2.606  CC1=CC2=C(C=C1)NC(Cl)=N2 4088382 [0,1,0,1,0,0|2,0,0]=4
30  B12R2.606  NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,1,0,1,0,0|2,0,0]=4
31  B12R2.606  NC1=CC=C2NC(=O)CC2=C1 4006397 [0,1,0,1,0,0|2,0,0]=4
32  B8R1.1  CC1=CNC(C=O)=C1 4036719 [1,0,0,0,1,0|1,0,0]=3
33  B8R1.1  CC1=NC(C=O)=CO1 4038328 [1,0,0,0,1,0|2,0,0]=4
34  B8R1.1  CC1=NC=C(C=O)S1 4301186 [1,0,0,0,1,0|2,0,0]=4
35  B8R1.1  CN1C=C(C=O)C=N1 4301129 [1,0,0,0,1,0|2,0,0]=4