0 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 C(CC(=O)O)C(=O)O S3791 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.6 C(C[N+](=O)[O-])C(=O)O S3652 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.6 CC(=O)CCC(=O)O S6207 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.6 CC(C)CCC(=O)O S6278 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1749 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 C(CC(=O)N)C(C(=O)O)N S3963 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 C(CC(=O)O)C(C(=O)O)N S6266 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 CC(CCC(=O)O)C(=O)O S6110 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,1,0,0|2,0,1]=4 24 B7R0.2 CCC(C)CC(=O)O S6089 [0,0,0,0,1,0|1,0,2]=4 25 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|0,0,0]=2 26 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.4 C=CCCC(=O)O S6268 [2,0,0,0,0,0|0,0,0]=2 28 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,2]=4 30 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,2]=4 31 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.7 C(COCCN)C(=O)O S1872 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 C(C(C(=O)O)N)C(=O)N S4950 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 C(C(C(=O)O)N)C(=O)N S5571 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C(CC(=O)O)N S6142 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)CC(C(=O)O)N S3753 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)CC(C(=O)O)O S6046 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S5216 [0,1,0,0,0,1|1,0,0]=3 41 B10R0.98 C(CC(C(=O)O)N)CC(=O)O S5442 [0,1,0,0,0,1|1,0,0]=3 42 B10R0.26 C=CCS(=O)CC(C(=O)O)N S9397 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.96 CC(CCC(=O)O)CC(=O)O S6169 [0,2,0,0,0,0|1,0,1]=4 44 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|1,0,1]=4 46 B6R0.2 CC(C)CC(=O)O S6287 [1,0,0,0,1,0|1,0,1]=4 47 B6R0.2 CC(CC(=O)O)O S1031 [1,0,0,0,1,0|1,0,1]=4 48 B6R0.3 C(C(C(=O)O)N)O S5545 [0,0,0,0,2,0|1,0,1]=4 49 B6R0.3 C(C(C(=O)O)N)O S6224 [0,0,0,0,2,0|1,0,1]=4 50 B6R0.3 C(C(C(=O)O)N)O S9353 [0,0,0,0,2,0|1,0,1]=4 51 B6R0.3 C(C(C(=O)O)N)S S4815 [0,0,0,0,2,0|1,0,1]=4 52 B6R0.3 C(C(C(=O)O)N)S S5635 [0,0,0,0,2,0|1,0,1]=4 53 B6R0.3 CCC(C(=O)O)N S6203 [0,0,0,0,2,0|0,0,2]=4 54 B6R0.3 CCC(C(=O)O)N S6330 [0,0,0,0,2,0|0,0,2]=4