0 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,0,0,0,0,0|0,0,0]=1 13 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CC(C)C(=NO)N CUR-0027209 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.3 CC(C)C(CN)O CUR-0027506 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.3 CCC(C(C)O)N CUR-0067426 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.27 CC(C)C(O)S(=O)(=O)[O-] CUR-0155189 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,0,0,1,0,0|1,0,0]=2 32 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,0,0,0,0,1|2,0,1]=4 33 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,0,0,0,0,1|2,0,1]=4 34 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,0,0,0,0,1|2,0,1]=4 35 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,0,0,0,0,1|2,0,1]=4 36 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,1|0,0,0]=1 37 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,1|0,0,0]=1 38 B5R0.1 C(C#N)C(=O)O CUR-0011506 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CC(=O)COC CUR-0101516 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(C)CC#N CUR-0101228 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,0]=2 48 B5R0.1 CC(C)CCBr CUR-0002757 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CC(C)CCN CUR-0101511 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,1]=3 51 B5R0.1 CC(C)CNN CUR-0001046 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(C)N=C=O CUR-0101492 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 CC(CCO)O CUR-0003759 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|0,0,0]=2 57 B5R0.1 CCCC(C)O CUR-0023615 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 CN(C)CCO CUR-0019188 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 COCC(=O)Cl CUR-0101665 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|0,0,2]=4 68 B5R0.3 CCC(C)CO CUR-0101523 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.3 CCC(CO)N CUR-0101528 [2,0,0,0,0,0|0,0,1]=3 70 B5R0.3 CC\C(=N/O)\N CUR-0010533 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(=O)C(=O)O CUR-0101513 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.5 CC(C(=O)C)O CUR-0101517 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.5 CC(C(=O)O)N CUR-0005753 [2,0,0,0,0,0|0,0,0]=2 79 B5R0.5 CC(C(=O)O)O CUR-0100772 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(C(=O)O)S CUR-0001712 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(C)C(=N)N CUR-0101000 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.5 CC(C)C(=O)C CUR-0101503 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.5 CC(C)C(=O)O CUR-0023620 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [2,0,0,0,0,0|0,0,0]=2 88 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|0,0,0]=2 92 B7R0.9 C(C(=O)O)C(F)(F)F CUR-0101914 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.9 CC(C)CS(=O)(=O)Cl CUR-0102552 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,1,0,0,0,0|0,0,0]=2 100 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.10 COC(=O)C(CO)N CUR-0010591 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.15 CCC(CC)C(=O)O CUR-0101754 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,1,0,0,0,1|1,0,0]=3 104 B9R0.42 CC(C)C(=O)CC(=O)OC CUR-0101060 [0,1,0,0,0,1|1,0,1]=4 105 B9R0.57 CC(C(=O)O)NC(C)(C)C CUR-0101259 [0,1,0,0,0,1|1,0,0]=3 106 B9R0.32 CC(C)(C=C)[C@@H](C(=O)O)N CUR-0122776 [0,2,0,0,0,0|0,0,0]=2 107 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.2 C1C(CNC1=O)N CUR-0087034 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|0,0,0]=2 113 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|0,0,0]=2 114 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 C1COC(=O)C1Br CUR-0012154 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.4 C1CSC(=O)C1N CUR-0025625 [1,0,0,1,0,0|0,1,0]=3 118 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.18 C1CNC1C(=O)O CUR-0081896 [1,0,0,1,0,0|0,0,0]=2 123 B7R1.19 C1CC1(C(=O)O)N CUR-0010902 [1,0,0,1,0,0|0,0,0]=2 124 B7R1.22 C1CC1\C(=N\O)\N CUR-0100689 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.35 CC(C)C1CC(=O)NC1 CUR-0098576 [0,0,0,1,0,1|2,0,0]=4 129 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,0,0,1,0,1|1,0,0]=3 130 B9R1.137 C1CC1\C(=C/C(=O)O)\Cl CUR-0060747 [0,0,0,1,0,1|1,0,1]=4 131 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,0,0,1,0,1|1,0,0]=3 132 B9R1.41 CC1CCCC1C(=O)O CUR-0018388 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.165 CC(C)(C1CC1)C(=O)O CUR-0074704 [0,1,0,1,0,0|1,0,0]=3 134 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,0,0,0,0,1|1,0,1]=4 135 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [1,0,0,0,0,1|1,0,1]=4 136 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [1,0,0,0,0,1|1,0,0]=3