0  B5R1.1  C1CNOC1 4089053 [0,0,0,0,0,0|1,0,3]=4
1  B6R1.2  BrC1=CC=NS1 4047938 [0,1,0,0,0,0|1,0,1]=3
2  B6R1.2  BrC1=CNN=C1 3001964 [0,1,0,0,0,0|1,0,0]=2
3  B6R1.2  BrC1=NSC=N1 4108197 [0,1,0,0,0,0|2,0,1]=4
4  B6R1.2  C1=NNC(Br)=N1 4050415 [0,1,0,0,0,0|2,0,0]=3
5  B6R1.2  ClC1=CNN=C1 3002277 [0,1,0,0,0,0|1,0,0]=2
6  B6R1.2  IC1=CC=NS1 4075854 [0,1,0,0,0,0|1,0,1]=3
7  B6R1.2  NC1=NNC=C1 3002058 [0,1,0,0,0,0|1,0,0]=2
8  B6R1.2  NC1C=CCC1 4068828 [0,1,0,0,0,0|1,0,2]=4
9  B6R1.2  OC1=CNN=C1 4089099 [0,1,0,0,0,0|1,0,0]=2
10  B5R0.3  C=CC(O)CN 4055871 [0,1,1,0,0,0|0,0,2]=4
11  B7R1.3  ClC1=CN=CC=N1 3020065 [0,1,0,0,0,1|0,0,1]=3
12  B7R1.1  C#CC1=CC=CO1 4045318 [0,2,0,0,0,0|1,0,0]=3
13  B7R1.1  C1=NC=C(CO)S1 4050354 [0,2,0,0,0,0|1,0,1]=4
14  B7R1.1  CCC1C=CCN1 4090190 [0,2,0,0,0,0|0,0,2]=4
15  B7R1.1  CCN1C=CC=N1 3020409 [0,2,0,0,0,0|1,0,0]=3
16  B7R1.1  ClCC1=CN=CS1 4089081 [0,2,0,0,0,0|1,0,1]=4
17  B7R1.1  ClCC1=CNC=N1 4089538 [0,2,0,0,0,0|1,0,0]=3
18  B7R1.1  ClCC1=CSC=N1 4089258 [0,2,0,0,0,0|1,0,1]=4
19  B7R1.1  ClCC1=NC=CS1 4089816 [0,2,0,0,0,0|1,0,1]=4
20  B7R1.1  ClCC1=NNC=N1 6604383 [0,2,0,0,0,0|2,0,0]=4
21  B7R1.1  NCC1=CC=NN1 4088066 [0,2,0,0,0,0|1,0,0]=3
22  B7R1.1  NCC1=NC=CN1 4089830 [0,2,0,0,0,0|1,0,0]=3
23  B7R1.1  NCC1=NOC=C1 2102253 [0,2,0,0,0,0|1,0,1]=4
24  B7R1.1  NCC1=NOC=C1 4088492 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.1  O=CC1=CC=NS1 4030495 [0,2,0,0,0,0|1,0,1]=4
26  B7R1.1  O=CC1=CN=NN1 4301610 [0,2,0,0,0,0|2,0,0]=4
27  B7R1.1  O=CC1=CSN=C1 4030020 [0,2,0,0,0,0|1,0,1]=4
28  B7R1.1  OCC1=CNN=N1 4003329 [0,2,0,0,0,0|2,0,0]=4
29  B7R1.2  CC1=COC(C)=C1 4091270 [0,2,0,0,0,0|1,0,0]=3
30  B7R1.2  CC1=NN(C)C=C1 3020421 [0,2,0,0,0,0|1,0,0]=3
31  B7R1.2  CN1C=NC(N)=N1 4087773 [0,2,0,0,0,0|2,0,0]=4
32  B7R1.2  CN1N=CC(N)=N1 4006206 [0,2,0,0,0,0|2,0,0]=4
33  B7R1.2  NC1=NC(Cl)=NN1 4018524 [0,2,0,0,0,0|2,0,0]=4
34  B7R1.4  CC1=C(Br)NN=N1 4046416 [0,2,0,0,0,0|2,0,0]=4
35  B7R1.4  CC1=C(N)C=NN1 4088796 [0,2,0,0,0,0|1,0,0]=3
36  B7R1.4  CN1C=CN=C1N 4090307 [0,2,0,0,0,0|1,0,0]=3
37  B7R1.4  CN1C=NN=C1N 4018387 [0,2,0,0,0,0|2,0,0]=4
38  B7R1.4  CN1N=NC=C1Br 4110761 [0,2,0,0,0,0|2,0,0]=4
39  B7R1.24  C1=CCCNCC1 4110732 [0,0,0,0,0,2|0,0,2]=4