0  B5R0.2  COCCNN 4050590 [0,0,0,0,0,0|2,1,0]=3
1  B5R0.2  COCCNN 4089703 [0,0,0,0,0,0|2,1,0]=3
2  B5R0.2  NNCCCO 4090002 [0,0,0,0,0,0|2,0,2]=4
3  B4R0.2  CCCNN 4088315 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  CNCC(C)OC 4089097 [0,1,0,0,0,0|2,1,0]=4
5  B6R0.4  CCCCC(=N)N 4090419 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.4  CNCCC(=O)O 4088781 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.4  CNCCC(N)=O 4090391 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.6  C=CCNCCC 4088685 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.6  CCOCCNC 4089681 [0,1,0,0,0,0|2,0,1]=4
10  B6R1.1  C1CCONC1 4089921 [0,0,0,1,0,0|2,0,1]=4
11  B6R1.2  NC1C=CCC1 4068828 [0,0,0,1,0,0|3,0,0]=4
12  B6R1.2  NC1CCSC1 4014976 [0,0,0,1,0,0|1,0,1]=3
13  B6R1.2  N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|1,1,1]=4
14  B6R1.2  OC1CCSC1 4030923 [0,0,0,1,0,0|0,0,2]=3
15  B6R1.6  NCC1CCC1 4090412 [0,0,0,1,0,0|2,0,1]=4
16  B5R0.1  COCC(=N)N 4091089 [1,1,0,0,0,0|1,1,0]=4
17  B5R0.3  C=CC(O)CN 4055871 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.3  CCC(C)NC 4039876 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.3  CCC(C)NC 4089297 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.3  COC(C)CN 4089925 [1,1,0,0,0,0|1,1,0]=4
21  B5R0.3  CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|0,1,1]=4
22  B7R0.2  CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,0]=3
23  B7R0.3  CNC(=O)CCCN 4089383 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.3  CNCCC(=O)NC 4088709 [0,2,0,0,0,0|1,0,0]=3
25  B7R0.3  COCC\C(N)=N/O 4090102 [0,2,0,0,0,0|0,1,1]=4
26  B7R0.5  CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|1,0,0]=3
27  B7R0.4  COCCNC(=N)N 4090647 [0,2,0,0,0,0|1,1,0]=4
28  B7R0.6  CN(C)CCC(=N)N 4089883 [0,2,0,0,0,0|2,0,0]=4
29  B5R1.1  C1CNOC1 4089053 [1,0,0,1,0,0|1,0,1]=4
30  B5R1.2  OC1CNC1 4088745 [1,0,0,1,0,0|1,0,1]=4
31  B5R1.4  C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,1]=4
32  B7R1.1  CCC1C=CCN1 4090190 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.3  NC1C=CCCC1 4075151 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.3  NC1CC=CCC1 4110793 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.4  NC1CCNC1=O 4019954 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.4  N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|2,0,0]=4
37  B7R1.4  N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|2,0,0]=4
38  B7R1.24  C1=CCCNCC1 4110732 [0,1,0,1,0,0|2,0,0]=4