0 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS52292 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS61057 [0,0,0,0,0,0|0,0,0]=0 2 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS75174 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS78312 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS82046 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O TS83807 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O TS21617 [0,0,0,0,0,0|0,0,1]=1 7 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O TS94692 [0,0,0,0,0,0|0,0,2]=2 8 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS26989 [0,0,0,0,0,0|0,0,3]=3 9 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS29142 [0,0,0,0,0,0|0,0,3]=3 10 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS31080 [0,0,0,0,0,0|0,0,3]=3 11 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS43709 [0,0,0,0,0,0|0,0,3]=3 12 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS67026 [0,0,0,0,0,0|0,0,3]=3 13 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS68676 [0,0,0,0,0,0|0,0,3]=3 14 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS73320 [0,0,0,0,0,0|0,0,3]=3 15 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS76111 [0,0,0,0,0,0|0,0,3]=3 16 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS77499 [0,0,0,0,0,0|0,0,3]=3 17 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS82414 [0,0,0,0,0,0|0,0,3]=3 18 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS83205 [0,0,0,0,0,0|0,0,3]=3 19 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS83240 [0,0,0,0,0,0|0,0,3]=3 20 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS83695 [0,0,0,0,0,0|0,0,3]=3 21 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS84539 [0,0,0,0,0,0|0,0,3]=3 22 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS93364 [0,0,0,0,0,0|0,0,3]=3 23 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS93933 [0,0,0,0,0,0|0,0,3]=3 24 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94682 [0,0,0,0,0,0|0,0,3]=3 25 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94683 [0,0,0,0,0,0|0,0,3]=3 26 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94686 [0,0,0,0,0,0|0,0,3]=3 27 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94694 [0,0,0,0,0,0|0,0,3]=3 28 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94698 [0,0,0,0,0,0|0,0,3]=3 29 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O TS94701 [0,0,0,0,0,0|0,0,3]=3 30 B12R0.694 CC(CC(=O)O)(CC(=O)O)C(=O)O TS17018 [0,0,0,0,0,0|1,0,0]=1 31 B11R0.32 C(C(=CC(=O)O)C(=O)O)C(=O)O TS13435 [1,0,0,0,0,0|0,0,2]=3 32 B11R0.32 C(C(=CC(=O)O)C(=O)O)C(=O)O TS13437 [1,0,0,0,0,0|0,0,2]=3 33 B11R0.32 C(C(CC(=O)O)C(=O)O)C(=O)O TS13776 [1,0,0,0,0,0|0,0,0]=1 34 B11R0.32 C([C@@H](C(=O)O)NC(=O)N)C(=O)O TS74755 [1,0,0,0,0,0|2,0,0]=3 35 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O TS45735 [1,0,0,0,0,0|3,0,0]=4 36 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N TS45738 [1,0,0,0,0,0|3,0,0]=4 37 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O TS45913 [1,0,0,0,0,0|2,0,0]=3 38 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O TS13481 [1,0,0,0,0,0|2,0,1]=4 39 B13R0.1420 CC(C(=O)O)C(CC(=O)O)(C(=O)O)O TS20110 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.2023 C(C(=O)O)C1(C(O1)C(=O)O)C(=O)[O-] TS24477 [0,0,0,1,0,0|0,0,1]=2 41 B13R1.5889 C1CC(OC1=O)(CC(=O)O)C(=O)O TS15908 [0,0,0,1,0,0|3,0,0]=4 42 B10R0.23 C([C@@H](C(=O)O)NC=O)C(=O)O TS42255 [2,0,0,0,0,0|1,0,0]=3 43 B10R0.119 CCC(C)(CC(=O)O)C(=O)O TS42127 [2,0,0,0,0,0|1,0,1]=4 44 B10R0.165 CC(C)(CC(=O)O)CC(=O)O TS65732 [2,0,0,0,0,0|1,0,1]=4 45 B10R0.165 CC(CC(=O)O)(CC(=O)O)O TS42394 [2,0,0,0,0,0|0,0,1]=3 46 B12R0.43 C([C@H]([C@H](C(=O)O)O)C(=O)O)C(=O)[O-] TS52964 [1,1,0,0,0,0|0,0,1]=3 47 B12R0.43 C=C(C(CC(=O)O)C(=O)O)C(=O)O TS15909 [1,1,0,0,0,0|0,0,1]=3 48 B12R0.151 C(C(C(=O)O)NC(=O)CN)C(=O)O TS51035 [1,1,0,0,0,0|2,0,0]=4 49 B12R0.151 C([C@@H](C(=O)O)NC(=O)CCl)C(=O)O TS20801 [1,1,0,0,0,0|2,0,0]=4 50 B12R0.180 CC(=O)N[C@@H](CC(=O)O)C(=O)OC TS16137 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.850 C1C(C(CC1=O)C(=O)O)C(=O)O TS45424 [1,0,0,1,0,0|1,0,0]=3 52 B12R1.850 C1C(C(OC1=O)C(=O)O)C(=O)O TS13440 [1,0,0,1,0,0|0,0,0]=2 53 B12R0.41 C(C(=O)N)N(CC(=O)O)CC(=O)O TS17027 [1,0,0,0,0,1|2,0,0]=4 54 B12R0.41 C(C(=O)O)N(CC(=O)O)CC(=O)O TS17241 [1,0,0,0,0,1|1,0,0]=3 55 B12R0.138 C(C(C(=O)O)SCC(=O)O)C(=O)O TS43417 [1,0,0,0,0,1|0,0,0]=2 56 B12R0.138 C(CC(=O)O)C(CC(=O)O)C(=O)O TS17020 [1,0,0,0,0,1|0,0,0]=2 57 B12R0.138 C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N TS51034 [1,0,0,0,0,1|2,0,0]=4 58 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O TS01932 [1,0,0,0,0,1|2,0,0]=4 59 B14R0.3411 CC(=O)C(C)(CCC(=O)O)CCC(=O)O TS22022 [0,0,0,0,0,2|2,0,0]=4