0 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,0,0,0,0,0|0,1,0]=1 3 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 C=C(CC(=O)O)C(=O)O CUR-0014634 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CN(CC(=O)O)C(=N)N CUR-0008866 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 C(=C/C(=O)O)/C(=O)O CUR-0004106 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.6 C(=C\C(=O)O)/C(=O)O CUR-0100787 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [1,0,0,0,0,0|0,0,0]=1 17 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.39 CC(=O)NC(CS)C(=O)O CUR-0007808 [0,1,0,0,0,0|2,1,0]=4 22 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O CUR-0102348 [0,1,0,0,0,0|0,0,0]=1 23 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O CUR-0007272 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.35 C1C(CNC1=O)C(=O)N CUR-0096360 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.35 C1C(CNC1=O)C(=O)O CUR-0006587 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 C1C(OC(=O)N1)C(=O)O CUR-0022760 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 C1CC(=O)NC1C(=O)O CUR-0013033 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CUR-0014319 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 C1[C@H](NC(=O)N1)C(=O)O CUR-0122529 [0,0,0,1,0,0|3,0,0]=4 33 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,0,0,0,1,0|0,0,2]=3 34 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,0,0,0,1,0|3,0,0]=4 35 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,0,0,0,1,0|3,0,0]=4 36 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,1,0|2,0,1]=4 37 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,1,0|2,0,1]=4 38 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,0,0,0,0,1|2,0,0]=3 39 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CUR-0017496 [0,0,0,0,0,1|0,0,2]=3 40 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,0,0,0,0,1|1,0,0]=2 41 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [2,0,0,0,0,0|0,0,1]=3 42 B6R0.2 CC(C)CC(=O)O CUR-0017645 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [2,0,0,0,0,0|1,1,0]=4 50 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [2,0,0,0,0,0|1,1,0]=4 52 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [2,0,0,0,0,0|1,1,0]=4 53 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 CCC(C(=O)O)N CUR-0010659 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CCC(C)C(=O)O CUR-0101619 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.9 C(C(=O)NCC(=O)O)N CUR-0013722 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.9 COC(=O)CCC(=O)Cl CUR-0001082 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [1,1,0,0,0,0|0,0,0]=2 59 B8R0.37 CC(C)(C(=O)O)C(=O)O CUR-0023735 [0,1,0,0,1,0|1,0,0]=3 60 B10R0.114 C(C(O)P(=O)(O)O)P(=O)(O)O CUR-0103530 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.46 COC(=O)CC(=C)C(=O)OC CUR-0015107 [0,2,0,0,0,0|1,0,1]=4 62 B8R1.18 C=C1CC(=O)OC1=O CUR-0101696 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 C1COCC1C(=O)O CUR-0024198 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.13 C1CC(=O)NCC1C(=O)O CUR-0014865 [0,0,0,1,0,1|2,0,0]=4 68 B10R1.64 C1COC(=O)N1CC(=O)O CUR-0079208 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.113 C1CNC(=O)CC1C(=O)O CUR-0011374 [0,1,0,1,0,0|2,0,0]=4 70 B8R0.28 C(C(=O)O)NCC(=O)O CUR-0102003 [1,0,0,0,0,1|0,0,0]=2 71 B8R0.28 C(C(=O)O)SCC(=O)O CUR-0008007 [1,0,0,0,0,1|0,0,0]=2 72 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [1,0,0,0,0,1|0,0,0]=2