0  B7R0.4  CC(=O)NCCCN F8888-5285 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.4  CCCCNC(C)C F1911-1667 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.4  C=C(C)CCCBr F1913-0542 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.4  C=C(C)CCCO F1913-0541 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CCCNC(C)C F8889-6089 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.5  CCCC(=O)NC(C)C F3310-1187 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.5  CCC\C(C)=C\C(=O)O F8880-7277 [0,1,0,0,0,0|1,0,0]=2
7  B8R1.34  CC(=O)C=C1COC1 F2147-8623 [0,0,0,1,0,0|1,0,0]=2
8  B8R1.34  CC(=O)OC1CNC1 F2147-1188 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.34  O=C(O)C=C1CNC1 F2167-8173 [0,0,0,1,0,0|2,0,0]=3
10  B8R1.35  O=C(O)CNC1CC1 F2147-0954 [0,0,0,1,0,0|2,0,1]=4
11  B5R0.1  CNCC(N)=O F8880-4275 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.1  COCC(N)=O F1913-0020 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.2  C=CCCNC F1911-1847 [2,0,0,0,0,0|1,0,1]=4
14  B7R0.3  COC(=O)NCCN F8882-3539 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.6  CC(C)C=C[N+](=O)[O-] F2147-1623 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.48  CCNC(=O)\C=C\C(=O)O F3115-0066 [0,2,0,0,0,0|1,0,1]=4
17  B9R0.7  CC(C)CNC(=O)C(=O)O F8882-1496 [0,2,0,0,0,0|2,0,0]=4
18  B7R1.2  NC1CNC(=O)C1 F2158-1004 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.7  CC1=NC=C(CCO)S1 F2147-6736 [0,1,0,1,0,0|1,1,0]=4
20  B9R1.7  CCOC1C=CC(=O)O1 F1905-7455 [0,1,0,1,0,0|1,0,0]=3
21  B9R1.7  CNCC1=NOC(C)=C1 F2158-0981 [0,1,0,1,0,0|1,0,1]=4
22  B9R1.13  O=C(O)\C=C1/CCOC1 F2147-4122 [0,1,0,1,0,0|1,0,0]=3
23  B9R1.22  CCN1N=C(C)C=C1O F2198-6124 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.48  O=C1CCCNC(=O)C1 F2147-2486 [0,1,0,1,0,0|1,0,1]=4
25  B9R1.53  CC(=O)CN1CC(N)C1 F1907-2880 [0,1,0,1,0,0|1,0,1]=4
26  B9R1.21  CCN1C=CC(CN)=N1 F2169-0789 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.6  CC(=O)C1=CNCCC1 F8880-8034 [0,1,0,1,0,0|0,0,0]=2
28  B9R2.138  O=C1CC2(CCC2)C1 F8889-0829 [0,0,0,2,0,0|0,0,2]=4