0  B8R0.28  C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,0,0|3,0,1]=4
1  B8R0.28  CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,0|0,0,2]=2
2  B9R0.1  CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,0|1,0,2]=4
3  B9R0.1  C\C=C(/C)\CCC=C(C)C 650 [0,1,0,0,0,0|1,0,2]=4
4  B9R1.35  Cc1ccc([nH]1)C(=O)O 5M1 [0,0,0,1,0,0|2,0,0]=3
5  B9R1.35  Cc1ccc(o1)C(=O)O 2K1 [0,0,0,1,0,0|2,0,0]=3
6  B9R1.35  Cc1ncc(s1)C(=O)O 6V9 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.35  c1cc(oc1C(=O)O)Br 14J [0,0,0,1,0,0|3,0,0]=4
8  B9R1.35  c1cc(sc1C(=O)N)Cl FQI [0,0,0,1,0,0|3,0,0]=4
9  B7R0.6  C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,1,0|3,0,0]=4
10  B7R0.6  C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,1,0|3,0,0]=4
11  B7R0.6  C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,1,0|3,0,0]=4
12  B9R0.55  C(=C\C(=O)O)\C=C/C(=O)O CCU [0,0,0,0,0,1|3,0,0]=4
13  B10R0.98  CC(=O)/C=C/C=C(\C(=O)O)/O M3P [0,1,0,0,0,1|2,0,0]=4
14  B8R1.4  Cc1cccc(c1)O CRS [1,0,0,1,0,0|0,0,2]=4
15  B8R1.4  Cc1cccc(c1)S M3T [1,0,0,1,0,0|0,1,1]=4
16  B8R1.4  Cc1cccc(n1)N 71M [1,0,0,1,0,0|2,0,0]=4
17  B8R1.7  c1cc([nH]c1)C(=O)[O-] PYC [1,0,0,1,0,0|2,0,0]=4
18  B8R1.7  c1cc(oc1)C(=O)O FOA [1,0,0,1,0,0|2,0,0]=4
19  B8R1.7  c1cc(sc1)C(=O)O C21 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.3  Cc1ccc(cc1)C PXY [0,0,0,1,1,0|1,0,1]=4
21  B10R1.54  Cc1csc(n1)NC(=O)C 6T4 [0,0,0,1,0,1|2,0,0]=4
22  B10R1.113  CC(=O)c1cccc(c1)N 3AO [0,0,0,1,0,1|1,0,1]=4
23  B10R1.113  CC(=O)c1cccc(c1)O 53C [0,0,0,1,0,1|1,0,1]=4
24  B10R1.13  CC(=O)c1ccc(cc1)Br PBP [0,1,0,1,0,0|1,0,1]=4
25  B10R1.13  CC(=O)c1ccc(cc1)O AC6 [0,1,0,1,0,0|1,0,1]=4
26  B10R1.13  Cc1ccc(cc1)C(=O)O 4MA [0,1,0,1,0,0|1,0,1]=4
27  B10R1.13  Cc1ccc(cc1)C(C)C MML [0,1,0,1,0,0|1,0,1]=4
28  B6R0.2  CC(=O)CC(=O)C P2D [0,0,0,0,2,0|1,0,1]=4
29  B10R0.97  CC(C)C/C=C/C=C\C(=O)O FA7 [0,0,0,0,0,2|1,0,1]=4