0  B7R0.2  CCC(C)CC(C)N LS41471 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.2  COC(=O)CC(=O)O LS41603 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.5  C(CN)C(C(=O)O)N LS40104 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [1,0,0,0,0,0|0,0,0]=1
4  B6R0.2  B(CC(C)C)(O)O LS40457 [2,0,0,0,0,0|1,0,1]=4
5  B6R0.2  C[C@@H](CC(=O)O)N LS30205 [2,0,0,0,0,0|1,0,0]=3
6  B6R0.2  C[C@H](CC(=O)O)N LS30206 [2,0,0,0,0,0|1,0,0]=3
7  B6R0.4  B(CCCC)(O)O LS11153 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.4  C(CC(=O)Cl)CCl LS40415 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.4  C=CCCC(=O)O LS41473 [2,0,0,0,0,0|0,0,2]=4
10  B6R0.3  B(C(C)CC)(O)O LS11154 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.3  C=C[C@@H](C(=O)O)N LS30533 [2,0,0,0,0,0|0,0,2]=4
12  B6R0.3  CCC(=O)C(=O)O LS41883 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.3  CC[C@@H](C(=O)O)O LS30082 [2,0,0,0,0,0|1,0,0]=3
14  B8R0.19  COC(=O)CC(CCl)O LS40615 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.19  COC(=O)C[C@@H](CCl)O LS30196 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.19  COC(=O)C[C@H](CCl)O LS30198 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.8  CSCC[C@@H](C(=O)[O-])N LS41069 [1,1,0,0,0,0|0,0,1]=3
18  B8R0.27  [C@@H](C(=O)O)(C(F)(F)F)N LS41961 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.4  C1CNC(=O)CC1N LS20121 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.4  CN1CCNC(=O)C1 LS21189 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.5  C1CC[C@@H]([C@H](C1)N)O LS30024 [1,0,0,1,0,0|1,0,1]=4
22  B8R1.5  C1CC[C@@H]([C@H](C1)N)O LS30123 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.5  C1CC[C@H]([C@H](C1)N)O LS30029 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,0]=3
27  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.78  C1CC(C1)(C(=O)O)N LS40291 [1,0,0,1,0,0|0,0,0]=2
29  B8R1.78  CC1(COC1)C(=O)O LS40302 [1,0,0,1,0,0|2,0,0]=4
30  B10R1.61  CN1CCCCC1C(=O)O LS20275 [0,1,0,1,0,0|2,0,0]=4