0  B10R1.20  CNC1=NC=CC=C1C=O 4090184 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.20  COC1=CC=CN=C1CCl 4089597 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.15  CC1=C(CCl)C=CN=C1 4010334 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.15  CC1=C(CCl)N=CC=C1 4088897 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.15  CC1=C(CN)C=CN=C1 4088420 [1,0,0,0,0,0|2,0,1]=4
5  B9R1.15  CC1=C(NN)C=CN=C1 4088209 [1,0,0,0,0,0|3,0,0]=4
6  B9R1.15  CC1=NC=CC=C1CCl 4088270 [1,0,0,0,0,0|2,0,1]=4
7  B9R1.15  CC1=NC=CN=C1C=O 4030187 [1,0,0,0,0,0|2,0,0]=3
8  B9R1.15  CCC1=CC=CN=C1Cl 4037222 [1,0,0,0,0,0|3,0,0]=4
9  B9R1.15  COC1=CN=CN=C1N 4065839 [1,0,0,0,0,0|3,0,0]=4
10  B11R1.37  COC1=C(C=O)C=C(C)N=C1 4067969 [0,1,0,0,0,0|1,0,0]=2
11  B11R1.41  CCOC1=NC=CC=C1CN 4090766 [0,1,0,0,0,0|2,0,1]=4
12  B11R1.41  COC1=CC=CC=C1N=C=O 3020271 [0,1,0,0,0,0|0,0,1]=2
13  B11R1.41  COC1=NC=CC=C1CCN 4069505 [0,1,0,0,0,0|2,0,1]=4
14  B11R1.53  NCC1=CC=CC=C1C(=O)O 4090789 [0,1,0,0,0,0|2,0,0]=3
15  B11R2.1  CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|3,0,0]=4
16  B11R2.1  NC1=NOC2=CC=CC=C21 3020311 [0,0,0,1,0,0|2,0,0]=3
17  B11R2.1  NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|1,0,1]=3
18  B8R1.2  O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.2  CC1=C(Cl)C=CC=C1NN 4088656 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.4  CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,1]=4
21  B10R1.4  CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|1,0,1]=4
22  B10R1.4  O=C=NC1=CC=CC=C1Br 3020265 [1,1,0,0,0,0|1,0,1]=4
23  B10R1.25  NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.30  CCC1=C(N)C=CC(I)=C1 4091033 [1,1,0,0,0,0|2,0,0]=4
25  B10R1.30  CCC1=CC(Cl)=CC=C1N 4091185 [1,1,0,0,0,0|2,0,0]=4
26  B10R1.61  CC(=O)C1=CC=CN=C1Cl 4031453 [1,1,0,0,0,0|2,0,0]=4
27  B10R1.61  CC(N)C1=C(Cl)C=CC=C1 4090561 [1,1,0,0,0,0|2,0,0]=4
28  B10R1.61  CC(N)C1=C(O)C=CC=C1 4088363 [1,1,0,0,0,0|1,0,1]=4
29  B10R1.245  COC1=C(N)C=CN=C1Cl 4049281 [1,1,0,0,0,0|2,0,0]=4
30  B10R1.245  COC1=C(N)C=CN=C1Cl 4089025 [1,1,0,0,0,0|2,0,0]=4
31  B12R1.77  NNC(=O)C1=CC=CC=C1CO 4033429 [0,2,0,0,0,0|2,0,0]=4
32  B12R1.169  CCOC1=C(CNC)C=CC=C1 4090680 [0,2,0,0,0,0|1,0,1]=4
33  B12R1.283  CCOC1=C(C(C)N)C=CC=C1 4090986 [0,2,0,0,0,0|1,0,1]=4
34  B12R2.24  NC1COC2=CC=CC=C2C1 4089584 [0,1,0,1,0,0|1,0,1]=4
35  B12R2.24  N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,1,0,1,0,0|1,0,1]=4
36  B12R2.24  N[C@H]1COC2=CC=CC=C2C1 4092002 [0,1,0,1,0,0|1,0,1]=4
37  B12R2.18  NC1C(=O)NC2=C1C=CC=C2 4090819 [0,1,0,1,0,0|2,0,0]=4
38  B12R2.315  O=CC1=C2C=CNC2=CC=C1 3020076 [0,1,0,1,0,0|1,0,1]=4
39  B12R2.315  O=CC1=CC=CC2=C1SC=N2 4038991 [0,1,0,1,0,0|0,1,1]=4
40  B12R2.196  CN1C=CC2=C1C=CC=C2N 4090799 [0,1,0,1,0,0|2,0,0]=4