0 B8R0.23 C(C(C(=O)O)N)C(=O)N S4950 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 C(C(C(=O)O)N)C(=O)N S5571 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 C(C(C(=O)O)N)C(=O)O S5129 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 C(C(C(=O)O)N)C(=O)O S5632 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 C(C(C(=O)O)O)C(=O)O S6292 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 C(C(C(=O)O)O)C(=O)O S9001 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)CC(C(=O)O)N S3753 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.23 CC(C)CC(C(=O)O)O S6046 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.23 CC(CC(=O)O)C(=O)O S6356 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 CC(CC=C)C(=O)O S6167 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.5 CCC=C(C)C(=O)O S6327 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 CCCC(C(=O)O)N S6334 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.5 CSCC(C(=O)O)N S4786 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.6 C(CC(=O)O)C(=O)O S3791 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 C(C[N+](=O)[O-])C(=O)O S3652 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.6 CC(=O)CCC(=O)O S6207 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.6 CC(C)CCC(=O)O S6278 [1,0,0,0,0,0|0,0,0]=1 17 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.79 CC(C(C)O)C(C(=O)O)N S9062 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.79 CC(C(C)O)C(C(=O)O)N S9393 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,1,0,0|1,0,0]=2 22 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,0,0,1,0|2,0,1]=4 23 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,0,0,1,0|2,0,1]=4 24 B7R0.16 CC(C(C(=O)O)N)O S4951 [0,0,0,0,1,0|1,0,0]=2 25 B7R0.16 CC(C)C(=O)C(=O)O S6148 [0,0,0,0,1,0|1,0,1]=3 26 B7R0.16 CC(C)C(C(=O)O)N S5628 [0,0,0,0,1,0|0,0,0]=1 27 B7R0.16 CC(C)C(C(=O)O)O S6098 [0,0,0,0,1,0|1,0,0]=2 28 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1749 [0,0,0,0,0,1|2,0,1]=4 29 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,0,0,0,0,1|2,0,1]=4 30 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,0,0,0,0,1|2,0,1]=4 31 B9R0.7 C(CC(=O)N)C(C(=O)O)N S3963 [0,0,0,0,0,1|2,0,1]=4 32 B9R0.7 C(CC(=O)O)C(C(=O)O)N S6266 [0,0,0,0,0,1|2,0,1]=4 33 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,0,0,0,0,1|1,0,1]=3 34 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,0,0,0,0,1|1,0,1]=3 35 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,0,0,0,0,1|1,0,0]=2 36 B6R0.2 CC(C)CC(=O)N S4116 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.2 CC(C)CC(=O)O S6287 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 C=CCCC(=O)O S6268 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.3 C(C(C(=O)O)N)O S5545 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 C(C(C(=O)O)N)O S6224 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.3 C(C(C(=O)O)N)O S9353 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.3 C(C(C(=O)O)N)S S4815 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.3 C(C(C(=O)O)N)S S5635 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.3 CC(CN)C(=O)O S6134 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 CCC(=O)C(=O)O S6329 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.3 CCC(C(=O)O)N S6203 [2,0,0,0,0,0|0,0,0]=2 50 B6R0.3 CCC(C(=O)O)N S6330 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.3 CCC(C(=O)O)O S6119 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|0,0,0]=2 53 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|0,0,0]=2 54 B8R0.8 CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.8 CSCCC(C(=O)O)N S5633 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.8 CSCCC(C(=O)O)N S9344 [1,1,0,0,0,0|0,0,0]=2 57 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [1,1,0,0,0,0|0,0,0]=2 58 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.27 CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,1,0|0,0,0]=2 63 B8R0.27 CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,1,0|0,0,0]=2 64 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S2293 [0,1,0,0,0,1|2,0,0]=4 65 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S2293 [0,1,0,0,0,1|2,0,0]=4 66 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S5874 [0,1,0,0,0,1|2,0,0]=4 67 B10R0.26 C=CCS(=O)CC(C(=O)O)N S9397 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.7 C1C(NCS1)C(=O)O S4993 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|0,0,0]=2 70 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|0,0,0]=2 71 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,0,0,1,0,1|2,0,0]=4