0 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CN(C)CCN(C)C CUR-0001051 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 C(CNC(=O)N)N CUR-0013187 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(C)CCNN CUR-0019174 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CC(C)CCON CUR-0153393 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 CC(C)CN=C=O CUR-0095337 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CCCCC(=O)C CUR-0101595 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CCCCC(=O)O CUR-0101620 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CCOCC(=O)O CUR-0101637 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 COCCC(=O)O CUR-0012995 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 CC(=O)CC(=O)N(C)C CUR-0006335 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.29 C(C(F)(F)F)OC(=O)Cl CUR-0019320 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.29 CC(COC(C)(C)C)O CUR-0044050 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.3 C=C1CCC(CC1)N CUR-0123168 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.3 CC1CCC(CC1)O CUR-0005881 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 C[C@H]1CC[C@@H](CC1)N CUR-0101712 [0,0,0,1,0,0|2,0,1]=4 32 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,1,0|1,0,2]=4 33 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,0,0,0,1,0|1,0,1]=3 34 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,0,0,0,1,0|2,0,1]=4 35 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,1,0|0,0,0]=1 36 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,0,0,0,1,0|1,0,0]=2 37 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,1,0|1,0,0]=2 38 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,0,0,0,1,0|2,0,1]=4 39 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,0,0,0,1,0|1,0,0]=2 40 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.28 CC(C)CNCC(C)C CUR-0100841 [0,0,0,0,0,1|2,0,1]=4 42 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(=O)COC CUR-0101516 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CC(=O)OC=C CUR-0001318 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.1 CC(C)CC#N CUR-0101228 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,0]=2 52 B5R0.1 CC(C)CCBr CUR-0002757 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 CC(C)CCN CUR-0101511 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 CC(C)CNN CUR-0001046 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CC(C)N=C=O CUR-0101492 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(COC)N CUR-0101532 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 CC(CSC)N CUR-0019523 [2,0,0,0,0,0|1,1,0]=4 59 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|0,0,0]=2 60 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CCCC(C)O CUR-0023615 [2,0,0,0,0,0|0,0,2]=4 63 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|0,0,0]=2 65 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 COCC(=O)Cl CUR-0101665 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CCCCC=O CUR-0020580 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.2 CCCCNC CUR-0101509 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 CCCN=C=O CUR-0101493 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 CCOCCBr CUR-0026041 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 CCOCCO CUR-0010841 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 CCO\C=C\C CUR-0101289 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.3 CCCNC(=O)CCl CUR-0099537 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.3 CCCOC(=O)CCl CUR-0101322 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.3 CCOCC(CN)O CUR-0096148 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.3 CNC(=O)OCCO CUR-0053764 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.3 COC(=O)CCCN CUR-0008398 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.3 COCCC(=O)OC CUR-0101774 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.4 CC(C)OCCCN CUR-0101773 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 CC(C)OCCCO CUR-0010579 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.4 CCCCNC(=O)N CUR-0101762 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.4 CCCCOC(=O)C CUR-0026180 [1,1,0,0,0,0|0,0,0]=2 91 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,1,0,0,1,0|0,0,0]=2 94 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,1,0,0,1,0|0,0,0]=2 95 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [0,1,0,0,1,0|1,0,0]=3 96 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,1,0,0,1,0|1,0,0]=3 97 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [0,1,0,0,1,0|1,0,0]=3 98 B7R0.9 CC(C)CS(=O)(=O)Cl CUR-0102552 [0,1,0,0,1,0|2,0,0]=4 99 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,1,0,0,1,0|1,0,1]=4 100 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,1,0,0,1,0|1,0,1]=4 101 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,1,0,0,1,0|2,0,0]=4 102 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,1,0,0,1,0|1,0,0]=3 103 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,1,0,0,1,0|1,0,0]=3 104 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,1,0,0,1,0|2,0,0]=4 105 B9R0.56 CC(=O)OCC[N+](C)(C)C CUR-0104003 [0,1,0,0,0,1|1,0,0]=3 106 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.42 CC(C)C(=O)CC(=O)OC CUR-0101060 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.2 C1C(CNC1=O)N CUR-0087034 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 C1CC(COC1)N CUR-0090441 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 C1CNC(=N)OC1 CUR-0096514 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 C1CNC(=O)CN1 CUR-0101593 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 C1CNCCC1=O CUR-0009294 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 C1CNCCC1=O CUR-0102475 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 C1COCC(=O)N1 CUR-0014967 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 C1COCCC1=O CUR-0001478 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 C1CSCC(=O)N1 CUR-0095816 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 C1CSCCC1=O CUR-0005576 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.3 CC1CCCNC1 CUR-0013551 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.3 CC1CCNCC1 CUR-0000849 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.5 CC1CC1N=C=O CUR-0006486 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.7 C1CC1CN=C=O CUR-0022437 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.7 CCOCC1CO1 CUR-0006249 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.14 C1COS(=O)(=O)C1 CUR-0101825 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.14 CC1(COCN1)C CUR-0101605 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.35 CC(C)C1CC(=O)NC1 CUR-0098576 [0,0,0,1,0,1|1,0,0]=3 137 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,0,0,1,0,1|1,0,0]=3 138 B9R1.1 C1CC(=O)NCC1CBr CUR-0018111 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.1 CCN1CCC(=O)CC1 CUR-0019617 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.80 C1CC1CNC(=O)CCl CUR-0002284 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.80 COC(=O)CNC1CC1 CUR-0093886 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.38 CC1(CC(=O)OC1=O)C CUR-0101919 [0,1,0,1,0,0|0,0,1]=3 143 B9R1.164 CC(=O)C1CC(C1)(F)F CUR-0153503 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,1,0,1,0,0|2,0,0]=4 145 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,0,0,0,2,0|1,0,1]=4 146 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,0,0,0,2,0|1,0,0]=3 147 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,0,0,0,2,0|2,0,0]=4 148 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,0,0,0,2,0|1,0,0]=3 149 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,0,0,0,2,0|1,0,0]=3 150 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,0,0,0,2,0|2,0,0]=4 151 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,0,0,0,2,0|2,0,0]=4 152 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,0,0,0,2,0|2,0,0]=4 153 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,2,0|2,0,0]=4 154 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,0,0,0,2,0|2,0,0]=4 155 B5R0.5 CC(C)C(=N)N CUR-0101000 [0,0,0,0,2,0|2,0,0]=4 156 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,0,0,0,2,0|0,0,0]=2 157 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,0,0,0,2,0|1,0,0]=3 158 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,0,0,0,2,0|1,0,0]=3 159 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [0,0,0,0,2,0|2,0,0]=4 160 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [0,0,0,0,2,0|2,0,0]=4 161 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,0,0,0,2,0|2,0,0]=4 162 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,0,0,0,2,0|2,0,0]=4