0  B8R0.9  COC(=O)CCC(=O)O 5776 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.6  C(CC(=O)O)C(=O)O 5823 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.6  CC(=O)CCC(=O)O 6824 [1,0,0,0,0,0|1,0,2]=4
3  B9R1.35  C1[C@@H](CN[C@@H]1C(=O)O)O 9022 [0,0,0,1,0,0|2,0,1]=4
4  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O H0099 [0,0,0,1,0,0|2,0,1]=4
5  B9R1.69  C1CC(=O)NC(=O)C1N 10503 [0,0,0,1,0,0|2,0,0]=3
6  B7R0.2  C(C(CN)O)C(=O)O 8603 [0,0,0,0,1,0|2,0,1]=4
7  B6R0.4  C(CC(=O)O)CN 6222 [2,0,0,0,0,0|0,0,0]=2
8  B6R0.4  C=CCCC(=O)O 5031 [2,0,0,0,0,0|0,0,0]=2
9  B6R0.4  CCCCC(=O)C 9447 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.6  C=CCCCCBr 5037 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.23  CC(C)CC(C(=O)O)N 5503 [1,1,0,0,0,0|1,0,1]=4
12  B8R0.23  CC(C)C[C@@H](C(=O)O)N 10688 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.29  C(CC(F)(F)F)C(=O)O 6037 [1,1,0,0,0,0|2,0,0]=4
14  B8R1.1  C1CC(=O)N[C@@H]1CO 10499 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.1  C1CC(=O)N[C@H]1CO 9353 [1,0,0,1,0,0|1,0,1]=4
16  B8R1.4  C1CC(=CC(=O)C1)N 8165 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.4  C1CC(=O)CC(=O)C1 10153 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.7  C1CC(NC1)C(=O)O 9203 [1,0,0,1,0,0|1,0,1]=4
19  B8R1.7  C1CCC(C1)C(=O)O 8636 [1,0,0,1,0,0|0,0,2]=4
20  B8R1.7  C1COCC1C(=O)O 8251 [1,0,0,1,0,0|1,0,1]=4
21  B6R0.3  C(C(C(=O)O)N)O 6847 [0,0,0,0,2,0|1,0,1]=4
22  B6R0.3  C(C(C(=O)O)N)O 8529 [0,0,0,0,2,0|1,0,1]=4
23  B6R0.3  C([C@@H](C(=O)O)N)S 6874 [0,0,0,0,2,0|1,0,1]=4