0  B6R0.2  C[C@@H](CC(=O)O)N WX665057 [1,0,0,0,0,0|1,0,1]=3
1  B6R0.2  C\C(=C\C(=O)O)\I WXC02281 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.3  CC(C)C(=N)NO WX619096 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.3  CC(C)C(=O)NN WX684019 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.3  CC(C)\C(=N\O)\N WX690138 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.3  CN(C)C(=O)CI WX630194 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CNC(=O)C(=O)O WXC01945 [1,0,0,0,0,0|1,0,0]=2
7  B6R0.3  COC(=O)C(=N)N WX619922 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.50  C1C(=C(C(=O)O1)Br)Br WXC00617 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.50  CC1=C(COC1=O)O WX685432 [0,0,0,1,0,0|2,0,1]=4
10  B8R1.54  C1CC1[C@@H](C(=O)O)N WX665055 [0,0,0,1,0,0|1,0,1]=3
11  B8R0.23  CC(C)N(C)CC(=O)O WX610392 [0,0,0,0,0,1|2,0,0]=3
12  B5R0.1  C(CF)C(=O)O WX610266 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.5  C(CN)[C@@H](C(=O)O)N WX665073 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.14  CCC(=O)C(C)(C)C WX625148 [1,1,0,0,0,0|1,0,1]=4
15  B9R0.23  CC(C)CC(=O)N(C)OC WX619208 [0,1,0,0,0,1|2,0,0]=4
16  B7R1.2  C1C(=CC(=O)O1)Br WXC00644 [1,0,0,1,0,0|1,0,1]=4
17  B7R1.2  C1C(COC1=O)N WXC01359 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.2  CC1CC(=O)NC1 WXC00781 [1,0,0,1,0,0|1,0,1]=4
19  B7R1.12  C1[C@H]([C@@H]1F)C(=O)O WX610333 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.12  C1[C@H]([C@H]1F)C(=O)O WX610334 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.12  CC1CC1C(=O)O WX610273 [1,0,0,1,0,0|0,0,1]=3
22  B7R1.12  C[C@H]1C[C@@H]1C(=O)O WX611005 [1,0,0,1,0,0|0,0,1]=3
23  B7R1.4  C1COC(=O)C1N WXC03217 [1,0,0,1,0,0|1,0,1]=4
24  B7R1.19  C1CC1(C(=O)O)F WXFC0175 [1,0,0,1,0,0|1,0,1]=4
25  B7R1.19  CC1(CC1)C(=O)O WX610274 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.22  CCC(=O)C1CC1 WX625032 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.35  CC(C)C1COC(=O)N1 WX690028 [0,0,0,1,0,1|1,0,1]=4
28  B9R1.35  CC(C)c1cc(on1)N WX609179 [0,0,0,1,0,1|2,0,0]=4
29  B9R1.35  CC1CCC(C1)C(=O)O WX611716 [0,0,0,1,0,1|1,0,1]=4
30  B9R1.35  C[C@@H]1CC[C@@H](O1)C(=O)O WX611125 [0,0,0,1,0,1|1,0,1]=4
31  B9R1.69  C1CC(=O)NC(=O)C1N WXC01464 [0,0,0,1,0,1|2,0,0]=4
32  B9R1.112  C1CC1NC(=O)C(=O)O WXC02525 [0,0,0,1,0,1|0,0,0]=2
33  B9R1.137  C1CC1C(=O)C[N+](=O)[O-] WX625104 [0,0,0,1,0,1|1,0,1]=4
34  B9R1.41  CC1CCCC1C(=O)O WX611680 [0,1,0,1,0,0|1,0,1]=4
35  B9R1.41  C[C@H]1[C@H](CCO1)C(=O)O WX611127 [0,1,0,1,0,0|1,0,1]=4
36  B9R1.101  COC(=O)C(C1CC1)N WXC02714 [0,1,0,1,0,0|1,0,1]=4
37  B7R0.6  CC(C)\C=C\[N+](=O)[O-] WX685406 [1,0,0,0,0,1|1,0,1]=4
38  B9R0.53  CC(C)CC(CC(=O)O)N WX665033 [0,0,0,0,0,2|1,0,1]=4