0 B7R0.6 C(=C/C(=O)O)/C(=O)O CUR-0004106 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 C(=C\C(=O)O)/C(=O)O CUR-0100787 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 C=CCCC(=O)O CUR-0101586 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCCC(=O)C CUR-0101595 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCCC(=O)O CUR-0101620 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCOCC(=O)O CUR-0101637 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 COCCC(=O)O CUR-0012995 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.9 C(C(=O)NCC(=O)O)N CUR-0013722 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.9 COC(=O)CCC(=O)Cl CUR-0001082 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.23 C=C(CC(=O)O)C(=O)O CUR-0014634 [0,1,0,0,0,0|0,0,1]=2 27 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CN(CC(=O)O)C(=N)N CUR-0008866 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.29 C(CC(F)(F)F)C(=O)O CUR-0102178 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.29 CS(=O)(=O)NCC(=O)O CUR-0027746 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [0,0,0,1,0,0|1,0,0]=2 34 B6R0.2 C(C(=O)N)C(=O)N CUR-0021261 [0,0,0,0,1,0|2,0,0]=3 35 B6R0.2 C(C(=O)N)C(=S)N CUR-0096493 [0,0,0,0,1,0|2,1,0]=4 36 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [0,0,0,0,1,0|0,0,0]=1 37 B6R0.2 C(C(=O)[O-])[N+](=O)[O-] CUR-0019317 [0,0,0,0,1,0|1,0,2]=4 38 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,1,0|2,0,1]=4 39 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,0,0,0,1,0|2,0,0]=3 40 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,0,0,0,1,0|2,0,0]=3 41 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.28 C(C(=O)O)NCC(=O)O CUR-0102003 [0,0,0,0,0,1|0,0,0]=1 43 B8R0.28 C(C(=O)O)SCC(=O)O CUR-0008007 [0,0,0,0,0,1|0,0,0]=1 44 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [0,0,0,0,0,1|0,0,0]=1 45 B5R0.1 C(C#N)C(=O)O CUR-0011506 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|0,1,0]=3 52 B5R0.1 CC(CCO)O CUR-0003759 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|0,0,1]=3 56 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 C(CCO)CO CUR-0024794 [2,0,0,0,0,0|0,0,2]=4 61 B5R0.2 CCCCC=O CUR-0020580 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.3 COC(=O)CCCN CUR-0008398 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 COCCC(=O)OC CUR-0101774 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 C#CCNCC(=O)O CUR-0123529 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.4 C(CN=[N+]=[N-])C(=O)O CUR-0027706 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.4 C=CCOCC(=O)O CUR-0014777 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,1,0,0,0,0|0,0,1]=3 71 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,1,0,0,1,0|0,0,1]=3 73 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,1,0,0,1,0|2,0,0]=4 74 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,1,0,0,1,0|2,0,0]=4 75 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,1,0,0,1,0|1,0,1]=4 76 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,1,0,0,1,0|1,0,1]=4 77 B9R0.1 COC(=O)CCCC(=O)Cl CUR-0102733 [0,1,0,0,0,1|1,0,0]=3 78 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,1,0,0,0,1|1,0,0]=3 79 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CUR-0017496 [0,1,0,0,0,1|0,0,0]=2 80 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,1,0,0,0,1|0,0,0]=2 81 B9R0.56 CS(=O)(=O)NCCC(=O)O CUR-0021931 [0,1,0,0,0,1|1,0,1]=4 82 B9R0.24 C(CC(=O)NN)C(=O)NN CUR-0016676 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.24 COC(=O)C#CC(=O)OC CUR-0028715 [0,2,0,0,0,0|0,0,2]=4 84 B9R0.24 COC(=O)CCC(=O)OC CUR-0101321 [0,2,0,0,0,0|0,0,0]=2 85 B9R0.24 COC(=O)\C=C/C(=O)OC CUR-0026038 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.24 COC(=O)\C=C\C(=O)OC CUR-0101215 [0,2,0,0,0,0|0,0,2]=4 87 B9R0.48 CCCC(=O)NCC(=O)O CUR-0005830 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.48 CCOC(=O)CCC(=O)C CUR-0102227 [0,2,0,0,0,0|1,0,0]=3 89 B9R0.48 CCOC(=O)CCC(=O)Cl CUR-0015518 [0,2,0,0,0,0|1,0,0]=3 90 B9R0.39 CC(=O)NC(CS)C(=O)O CUR-0007808 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O CUR-0102348 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O CUR-0007272 [0,2,0,0,0,0|0,0,0]=2 93 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [1,0,0,1,0,0|0,0,2]=4 94 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.2 C1C(=O)NC(=O)N1 CUR-0101582 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [1,0,0,1,0,0|0,0,0]=2 100 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.18 C1CNC1C(=O)O CUR-0081896 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.35 C1C(CNC1=O)C(=O)N CUR-0096360 [0,0,0,1,0,1|2,0,0]=4 107 B9R1.35 C1C(CNC1=O)C(=O)O CUR-0006587 [0,0,0,1,0,1|1,0,0]=3 108 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,1|1,0,1]=4 109 B9R1.35 C1C(OC(=O)N1)C(=O)O CUR-0022760 [0,0,0,1,0,1|0,0,0]=2 110 B9R1.35 C1CC(=O)NC1C(=O)O CUR-0013033 [0,0,0,1,0,1|1,0,0]=3 111 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CUR-0014319 [0,0,0,1,0,1|1,0,0]=3 112 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,1|1,0,1]=4 113 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,1|1,0,1]=4 114 B9R1.35 C1[C@H](NC(=O)N1)C(=O)O CUR-0122529 [0,0,0,1,0,1|1,0,0]=3 115 B9R1.53 C1C(CC1=O)CC(=O)O CUR-0138479 [0,0,0,1,0,1|1,0,0]=3 116 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [0,0,0,0,2,0|2,0,0]=4 117 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [0,0,0,0,2,0|2,0,0]=4 118 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [0,0,0,0,2,0|0,0,0]=2 119 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [0,0,0,0,2,0|0,0,0]=2 120 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,0,0,0,2,0|2,0,0]=4 121 B5R0.5 CC(=O)C(=O)O CUR-0101513 [0,0,0,0,2,0|1,0,0]=3 122 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,2,0|1,0,1]=4 123 B9R0.55 C(CCC(=O)O)CC(=O)O CUR-0025315 [0,0,0,0,0,2|0,0,0]=2