0  B7R0.2  CCC(N)CC(=O)O A14449 [1,0,0,0,0,0|3,0,0]=4
1  B7R0.2  CCC(N)CC(=O)O A18198 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.2  CC[C@@H](N)CC(=O)O A18229 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.2  CC[C@H](C)CC(=O)O M13871 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.2  NC[C@@H](O)CC(=O)O A2622 [1,0,0,0,0,0|3,0,0]=4
5  B9R0.26  C(C(=O)OC)=C(/CC)OC M12665 [0,1,0,0,0,0|1,0,2]=4
6  B9R0.26  COC(C\C(N)=N/O)OC H13786 [0,1,0,0,0,0|1,0,1]=3
7  B9R0.63  COP(=O)(NC(C)=O)SC A1611 [0,1,0,0,0,0|2,1,0]=4
8  B9R1.13  O=C(O)CC1CCCN1 P4464 [0,0,0,1,0,0|3,0,0]=4
9  B9R1.13  O=C(O)C[C@@H]1CCCN1 H17104 [0,0,0,1,0,0|3,0,0]=4
10  B7R0.15  COC(OC)N(C)C D0403 [0,0,0,0,1,0|2,0,0]=3
11  B9R0.43  CCC(CO)CCC(C)=O H11451 [0,0,0,0,0,1|3,0,0]=4
12  B9R0.43  COC(\C=C\C(=O)O)OC D14793 [0,0,0,0,0,1|1,0,1]=3
13  B6R0.2  C(C(=O)O)N(C)C D18801 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(C)CC(=N)N M13844 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  COCCC(=N)N M13848 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.2  CC[C@H](C)[C@@H](N)C(=O)O A6306 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O H12777 [1,1,0,0,0,0|2,0,0]=4
18  B10R0.144  COC(OC)C(N)CC(=O)O A14678 [0,1,0,0,0,1|1,0,0]=3
19  B10R0.79  CCOC(CN(C)C)OCC D5352 [0,2,0,0,0,0|2,0,0]=4
20  B8R1.2  CCC1CNCCO1 E17046 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.2  COC1CCCNC1 M14733 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.8  BrCCC1OCCO1 B8236 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.7  O=C(O)[C@@H]1CCCO1 T3062 [0,0,0,1,1,0|2,0,0]=4
24  B8R1.7  O=C(O)[C@H]1CCCO1 T6625 [0,0,0,1,1,0|2,0,0]=4
25  B8R1.7  O=C(O)[C@H]1CCCO1 T6625 [0,0,0,1,1,0|2,0,0]=4
26  B10R1.18  O=C(O)CC1CNCCO1 M13320 [0,1,0,1,0,0|2,0,0]=4
27  B10R2.71  O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4
28  B10R2.71  O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4
29  B10R0.77  COC(CCCN(C)C)OC D17890 [0,0,0,0,0,2|2,0,0]=4