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1  B6R0.4  C(CC(=O)[O-])CO 9002506 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.4  CC(C)CCCO 18446 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.9  C(CC(=O)O)C(=O)CN 9001902 [0,1,0,0,0,0|0,0,0]=1
4  B8R0.9  C=CC(CCC(=O)O)N 9000976 [0,1,0,0,0,0|1,0,2]=4
5  B8R0.23  CS(=O)C[C@@H](C(=O)O)N 17600 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.2  CC(CC(=O)O)O 14148 [0,0,0,0,1,0|0,0,2]=3
7  B6R0.2  C[C@@H](CC(=O)[O-])O 21822 [0,0,0,0,1,0|0,0,3]=4
8  B8R0.28  C(CNC(=N)N)C(=O)O 16725 [0,0,0,0,0,1|2,0,0]=3
9  B5R0.1  CCCC(=O)[O-] 13121 [2,0,0,0,0,0|0,0,1]=3
10  B7R0.4  CC(=O)NCCCN 9002787 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.5  C#CCC(C(=O)O)N 10010948 [1,1,0,0,0,0|0,0,2]=4
12  B7R0.5  C(C#N)[C@@H](C(=O)O)N 10010947 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.16  CC(C(=O)O)C(=O)O 14885 [0,1,0,0,1,0|1,0,0]=3
14  B7R0.16  CC(C)[C@@H](C(=O)O)O 10007090 [0,1,0,0,1,0|1,0,1]=4
15  B9R0.7  C(C(=O)O)NC(=O)C(=O)O 13944 [0,1,0,0,0,1|1,0,1]=4
16  B9R0.7  C(CC(=O)O)[C@@H](C(=O)O)O 21123 [0,1,0,0,0,1|1,0,0]=3
17  B9R0.7  C(CC(=O)[O-])C(C(=O)[O-])O 16374 [0,1,0,0,0,1|1,0,1]=4
18  B9R0.7  C(CC(=O)[O-])[C@H](C(=O)[O-])O 11605 [0,1,0,0,0,1|1,0,1]=4
19  B9R0.53  C(C(CC(=O)O)O)C(=O)O 16334 [0,1,0,0,0,1|1,0,0]=3
20  B9R0.24  COC(=O)\C=C\C(=O)OC 14714 [0,2,0,0,0,0|0,0,2]=4
21  B9R0.42  C([C@@H](C(=O)O)N)N(N=O)O 19545 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.11  C[C@@](CC(=O)O)(C(=O)O)O 19260 [0,2,0,0,0,0|1,0,0]=3
23  B9R0.39  CC(=O)N[C@@H](CS)C(=O)O 20261 [0,2,0,0,0,0|1,0,0]=3
24  B9R0.39  CN[C@H](CC(=O)O)C(=O)O 14581 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.57  C(C(C(=O)O)N)P(=O)(O)O 13852 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.35  C1C[C@@H](C[C@@H]1C(=O)O)N 11401 [0,0,0,1,0,1|1,0,1]=4
27  B9R1.35  C1C[C@H](C[C@H]1C(=O)O)N 11402 [0,0,0,1,0,1|1,0,1]=4
28  B5R0.5  C(=O)(C(=O)[O-])N 19057 [0,0,0,0,2,0|1,0,1]=4