0  B6R0.4  CN(C)/C=C/C=O AC021056 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.28  CC(=O)CCCC(O)=O AC180079 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.28  CN(C)CCCC(O)=O AC130623 [0,1,0,0,0,0|2,0,1]=4
3  B8R1.1  CC1=CC=C(S1)C=O AC511283 [0,0,0,1,0,0|2,0,1]=4
4  B8R1.1  CC1=CN=C(S1)C=O AC182206 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.1  CC1=CSC(=N1)C=O LN00003611 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.4  CC1=CC(=O)NN=C1 AC050579 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.4  CC1CC(=O)CCO1 AC220032 [0,0,0,1,0,0|2,0,1]=4
8  B8R1.4  CN1CCCC(=O)C1 AC182125 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.4  CN1CCNC(=O)C1 AC182677 [0,0,0,1,0,0|2,0,1]=4
10  B8R1.4  CN1CCOC(=O)C1 AC170002 [0,0,0,1,0,0|1,0,1]=3
11  B8R1.4  O=C1CCCC(=O)C1 AC510798 [0,0,0,1,0,0|2,0,1]=4
12  B5R0.1  CC(C)/C=N/O AC010411 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.1  CN(C)NC=O AC021455 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.2  CC(=CN(C)C)C=O LN02184528 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.2  CN(C)/C=C(\C)C=O AC020988 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.6  CC(=O)CCC(C)=O AC130061 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.6  CN(C)CCC(O)=O AC511515 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.56  CC(=O)OCC[N+](C)(C)C HY-B0282 [0,2,0,0,0,0|1,0,1]=4
19  B9R0.56  C[N+](C)(C)CCOC(N)=O HY-B1208 [0,2,0,0,0,0|1,0,1]=4
20  B7R1.2  C1[C@H](COC1=O)N LN00239300 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.2  O=C1CCC(=O)C1 AC170075 [1,0,0,1,0,0|1,0,1]=4
22  B7R1.3  CC1=CCCCC1 AC220166 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.3  CC1=CCNCC1 AC250025 [1,0,0,1,0,0|1,0,1]=4
24  B7R1.3  CC1=CCOCC1 AC220042 [1,0,0,1,0,0|0,0,1]=3
25  B9R1.53  CC(=O)OC1CC(=O)N1 AC280001 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.35  CC(C)[C@@H]1COC(=O)N1 AC180616 [0,1,0,1,0,0|0,0,2]=4
27  B9R1.35  CC(C)[C@H]1COC(=O)N1 AC180263 [0,1,0,1,0,0|0,0,2]=4