0  B8R1.18  C=C1CC(=O)OC1=O T5321 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.18  CN1CC(=O)N=C1N T0496 [0,0,0,0,0,0|2,0,1]=3
2  B8R1.18  CN1CC(=O)NC1=O T5236 [0,0,0,0,0,0|1,0,0]=1
3  B8R1.18  NN1CC(=O)NC1=O T0668 [0,0,0,0,0,0|0,0,0]=0
4  B7R1.2  O=C1C=CC(=O)N1 T4820 [1,0,0,0,0,0|1,0,1]=3
5  B7R1.4  NC1CCSC1=O T5968 [1,0,0,0,0,0|2,0,1]=4
6  B7R1.4  N[C@@H]1CONC1=O T1589 [1,0,0,0,0,0|2,0,0]=3
7  B7R1.4  N[C@H]1CCSC1=O T19393 [1,0,0,0,0,0|2,0,1]=4
8  B7R1.4  N[C@H]1CONC1=O T0710 [1,0,0,0,0,0|2,0,0]=3
9  B9R1.38  CC1(C)OC(=O)NC1=O T1234 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.2  CC(=O)CC(=O)O[Na] T13528 [0,0,1,0,0,0|3,0,0]=4
11  B7R0.2  COC(=O)CC(C)=O T4851 [0,0,1,0,0,0|3,0,0]=4
12  B7R1.15  O=C1C=C([O-])C1=O T13777 [0,0,0,0,1,0|2,0,1]=4
13  B9R1.69  CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,1|2,0,1]=4
14  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,0,0,0,0,1|2,0,0]=3
15  B9R1.69  O=C1NC=C(Br)C(=O)N1 T8060 [0,0,0,0,0,1|2,0,1]=4
16  B6R0.2  CC(=O)CC(=O)[O-] T4854 [1,0,1,0,0,0|2,0,0]=4
17  B6R0.4  C=CCNC(N)=S T0418 [1,0,1,0,0,0|1,1,0]=4
18  B6R0.4  O=CNCC(=O)O T4741 [1,0,1,0,0,0|1,0,0]=3
19  B6R0.3  CN(N=O)C(N)=O T4169 [1,0,1,0,0,0|2,0,0]=4
20  B6R1.2  O=C1NCCN1 T0630 [2,0,0,0,0,0|0,0,1]=3
21  B8R0.23  NC(=O)C[C@H](N)C(=O)O T2O2774 [0,1,1,0,0,0|1,0,0]=3
22  B8R0.23  NC(=O)C[C@H](N)C(=O)O T8392 [0,1,1,0,0,0|1,0,0]=3
23  B8R0.23  N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,1,1,0,0,0|2,0,0]=4
24  B8R0.23  N[C@@H](CC(=O)[O-])C(=O)[O-] T8267 [0,1,1,0,0,0|2,0,0]=4
25  B8R0.23  N[C@H](CC(=O)O)C(=O)O T4885 [0,1,1,0,0,0|2,0,0]=4
26  B10R1.475  CCC1(C)CC(=O)NC1=O T0728 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,0,1,1,0,0|1,0,0]=3
28  B8R0.9  NCC(=O)NCC(=O)O T5286 [0,0,1,0,0,1|2,0,0]=4