0 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 C=C(CN(C)C)C(=O)O CS-0168545 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.23 CC(C)CC(N)C(N)=O CS-0154067 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0169320 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0128410 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.23 NC(=O)C[C@H](N)C(N)=O CS-0207571 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-0020450 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.2 CC(C)CC(N)C#N CS-0226488 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.2 CC(C)CC(N)CO CS-W021562 [1,0,0,0,0,0|0,0,1]=2 40 B7R0.2 CC(C)CC(O)C#N CS-0359248 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.2 CN(C)CC(O)CO CS-W016584 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,0,0,0,0,0|0,0,0]=1 55 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,0,0,0,0,0|0,0,0]=1 57 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,0,0,0,0,0|0,0,2]=3 85 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,0,0,0,0|1,0,0]=2 86 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,0,0,0,0,0|0,0,2]=3 87 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.6 CC(C)CCB(O)O CS-0154235 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,0,0,0,0,0|0,0,0]=1 97 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [1,0,0,0,0,0|0,0,2]=3 101 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,0,0,0,0,0|1,0,0]=2 102 B7R0.6 CC(O)CCC(C)O CS-0377979 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,0,0,0,0,0|1,0,0]=2 106 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.23 CC(C)CC(=O)C(=O)O[Na] CS-W018103 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.23 CNC(=O)C(N)CC(C)C CS-0273991 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.23 COC(=O)C(Br)CC(C)C CS-0465894 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.23 COC(=O)C(N)CC(C)C CS-0213107 [0,1,0,0,0,0|0,0,0]=1 117 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.23 COC(=O)[C@H](N)CC(C)C CS-W017141 [0,1,0,0,0,0|0,0,0]=1 121 B9R0.23 COC(=O)[C@H](N)CC(N)=O CS-0143814 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,1,0,0,0,0|0,0,0]=1 123 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0196969 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0061018 [0,1,0,0,0,0|0,0,0]=1 125 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0095469 [0,1,0,0,0,0|0,0,0]=1 126 B9R0.39 CC(C)\C=C(/C#N)C(=O)O CS-0161344 [0,1,0,0,0,0|0,0,3]=4 127 B9R0.39 CNC(CC(=O)O)C(=O)O CS-W018216 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.39 CNC(CC(C)C)C(=O)O CS-0154250 [0,1,0,0,0,0|0,0,0]=1 129 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CS-0186185 [0,1,0,0,0,0|0,0,0]=1 130 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CS-2194 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.39 CN[C@H](CC(C)C)C(=O)O CS-0572808 [0,1,0,0,0,0|0,0,0]=1 132 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O CS-W008140 [0,1,0,0,0,0|0,0,0]=1 133 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [0,1,0,0,0,0|1,0,1]=3 135 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,1,0,0,0,0|1,0,1]=3 136 B9R0.42 COC(=O)C[C@@H](C)C(=O)O CS-0186135 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,1,0,0,0,0|1,0,1]=3 138 B9R0.42 COC(=O)C[C@H](C)C(=O)O CS-0309762 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,1,0,0,0,0|1,0,1]=3 140 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,1,0,0,0,0|1,0,1]=3 141 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CS-0142429 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O CS-0199399 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0171694 [0,1,0,0,0,0|0,0,0]=1 144 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CS-0011700 [0,1,0,0,0,0|0,0,0]=1 145 B9R0.57 CC(C)(C)NC(=O)C(=O)O CS-0314242 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O CS-D0232 [0,1,0,0,0,0|0,0,0]=1 147 B9R0.57 NC(CC(F)(F)F)C(=O)O CS-0028378 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.57 NC(CC(F)(F)F)C(=O)O CS-0307936 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.57 NC(CP(=O)(O)O)C(=O)O CS-0020425 [0,1,0,0,0,0|3,0,0]=4 150 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CS-0083859 [0,1,0,0,0,0|3,0,0]=4 151 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O CS-W010987 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0149995 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0671280 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 CS-0495436 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,1,0,0|1,0,0]=2 162 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157300 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,1,0,0|1,0,0]=2 168 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,1,0,0|1,0,0]=2 172 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|1,0,0]=2 174 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,0|1,0,0]=2 175 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,0|1,0,0]=2 176 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,0|1,0,0]=2 177 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,0|1,0,0]=2 178 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,0|1,0,0]=2 179 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,0|1,0,0]=2 180 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|1,0,0]=2 181 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,0|1,0,0]=2 182 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|1,0,0]=2 183 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|1,0,0]=2 184 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,1,0,0|1,0,1]=3 186 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,1,0,0|1,0,1]=3 187 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,1,0,0|2,0,1]=4 188 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,1,0,0|2,0,1]=4 189 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,0|1,0,0]=2 190 B9R1.69 CC1CN(C)CCC1=O CS-M1154 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [0,0,0,1,0,0|0,0,0]=1 192 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,0,0,1,0,0|0,0,0]=1 193 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [0,0,0,1,0,0|0,0,0]=1 194 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F CS-0312499 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.164 CC1(C)CC(C(=O)O)C1 CS-W021789 [0,0,0,1,0,0|1,0,0]=2 197 B9R1.164 CC1(O)CC(C(=O)O)C1 CS-0051341 [0,0,0,1,0,0|2,0,0]=3 198 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,0,0,1,0,0|2,0,0]=3 199 B9R1.164 O=C(O)C1CC(F)(F)C1 CS-D1529 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl CS-0204450 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.169 CC1(C(=O)O)CC1(F)F CS-W000391 [0,0,0,1,0,0|3,0,0]=4 202 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,0,0,0,1,0|2,0,1]=4 203 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,0,0,0,1,0|1,0,1]=3 204 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,0,0,0,1,0|1,0,0]=2 205 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,0,0,0,1,0|1,0,0]=2 206 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,0,0,0,1,0|1,0,0]=2 207 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,0,0,0,1,0|0,0,0]=1 208 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,0,0,0,1,0|1,0,0]=2 209 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,0,0,0,1,0|1,0,0]=2 210 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,0,0,0,1,0|0,0,0]=1 211 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,0,0,0,1,0|1,0,0]=2 212 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,0,0,0,1,0|1,0,0]=2 213 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,0,0,0,1,0|1,0,0]=2 214 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,0,0,0,1,0|0,0,0]=1 215 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,0,0,0,1,0|1,0,0]=2 216 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,0,0,0,1,0|1,0,0]=2 217 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,0,0,0,1,0|2,0,0]=3 218 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,0,0,0,1,0|2,0,0]=3 219 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,0,0,0,1,0|1,0,0]=2 220 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,0,0,0,1,0|1,0,0]=2 221 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,0,0,0,1,0|2,0,0]=3 222 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,0,0,0,1,0|2,0,0]=3 223 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,0,0,0,1,0|1,0,0]=2 224 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,0,0,0,1,0|1,0,0]=2 225 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,0,0,0,0,1|1,0,1]=3 226 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,0,0,0,0,1|1,0,1]=3 227 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,0,0,0,0,1|0,0,0]=1 228 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,0,0,0,0,1|0,0,0]=1 229 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,0,0,0,0,1|2,0,0]=3 230 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,0,0,0,0,1|1,0,0]=2 231 B9R0.7 N=C(N)NC[C@H](N)C(=O)O CS-0162060 [0,0,0,0,0,1|2,0,1]=4 232 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,0,0,0,0,1|2,0,1]=4 233 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,0,0,0,0,1|2,0,1]=4 234 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,0,0,0,0,1|2,0,1]=4 235 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,0,0,0,0,1|2,0,1]=4 236 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,0,0,0,0,1|2,0,1]=4 237 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,0,0,0,0,1|2,0,1]=4 238 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,0,0,0,0,1|2,0,1]=4 239 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,0,0,0,0,1|2,0,1]=4 240 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,0,0,0,0,1|2,0,1]=4 241 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,0,0,0,0,1|2,0,1]=4 242 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,0,0,0,0,1|2,0,0]=3 243 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,0,0,0,0,1|2,0,1]=4 244 B9R0.53 CC(C)CC(C)CC(C)O CS-0232992 [0,0,0,0,0,1|2,0,1]=4 245 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,0,0,0,0,1|0,0,0]=1 246 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,0,0,0,0,1|0,0,0]=1 247 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,0,0,0,0,1|0,0,0]=1 248 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,0,0,0,0,1|0,0,0]=1 249 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [0,0,0,0,0,1|2,0,1]=4 250 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [0,0,0,0,0,1|2,0,1]=4 251 B6R0.1 CCCC(N)C#N CS-0255763 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.1 CCCC(O)CO CS-0017222 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.1 CCC[C@H](N)CO CS-M1841 [2,0,0,0,0,0|0,0,1]=3 254 B6R0.1 CCC[C@H](N)CO CS-M2256 [2,0,0,0,0,0|0,0,1]=3 255 B6R0.1 COCC(N)CO CS-0106469 [2,0,0,0,0,0|1,0,1]=4 256 B6R0.2 CC(C)CB(O)O CS-W000978 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.2 CC(C)CC(=O)O CS-0881782 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.2 CC(C)CC(=O)O CS-W013696 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.2 CC(C)CC(N)=S CS-0642935 [2,0,0,0,0,0|0,1,1]=4 260 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.2 CC(C)NC(N)=O CS-0162822 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.2 CC(C)OC(N)=O CS-0119929 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.2 CC(O)CC(C)O CS-0377993 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.2 CC(O)CC(N)=O CS-0435186 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 270 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 271 B6R0.4 C=CCCC(C)O CS-0513969 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.4 CC(C)CCCBr CS-0154233 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|0,0,1]=3 276 B6R0.4 CC(C)NCCO CS-0076304 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CC(O)CCCO CS-0154051 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CCC#CC(=O)O CS-W013726 [2,0,0,0,0,0|0,0,2]=4 279 B6R0.4 CCCCB(O)O CS-W000932 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 282 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|1,0,0]=3 288 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.4 CC\C=C\C(=O)O CS-0053528 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.4 C[C@@H](N)CCCO CS-0634445 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.4 C[C@H](N)CCCO CS-0652529 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.3 CC(CBr)C(=O)O CS-W016048 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.3 CC(CN)C(=O)O CS-W013690 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.3 CCC(=O)C(=O)O CS-W007926 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.3 CCC(Br)C(N)=O CS-0152635 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.3 CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|0,0,0]=2 313 B6R0.3 CCC(N)C(N)=O CS-0197483 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.3 CCC(O)C(N)=O CS-0232591 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [2,0,0,0,0,0|0,0,0]=2 318 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|0,0,0]=2 323 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [2,0,0,0,0,0|1,0,0]=3 324 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [2,0,0,0,0,0|1,0,0]=3 325 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [2,0,0,0,0,0|1,0,1]=4 326 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [2,0,0,0,0,0|1,0,0]=3 327 B6R0.3 CNC(C)C(=O)O CS-W011307 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.3 COC(C)C(=O)O CS-W004806 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [2,0,0,0,0,0|2,0,0]=4 334 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.3 NC(CO)C(=O)O CS-0015292 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.3 NC(CS)C(=O)O CS-0201576 [2,0,0,0,0,0|1,0,0]=3 339 B6R0.3 NC(CS)C(=O)O CS-W013566 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.3 NC(CS)C(=O)O CS-W014367 [2,0,0,0,0,0|1,0,0]=3 341 B6R0.3 NC(CS)C(=O)O CS-W017432 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.3 NCC(F)C(=O)O CS-W011291 [2,0,0,0,0,0|2,0,0]=4 343 B6R0.3 NCC(N)C(=O)O CS-0130703 [2,0,0,0,0,0|1,0,0]=3 344 B6R0.3 NCC(N)C(=O)O CS-W014390 [2,0,0,0,0,0|1,0,0]=3 345 B6R0.3 NCC(O)C(=O)O CS-W013682 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [2,0,0,0,0,0|1,0,0]=3 347 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [2,0,0,0,0,0|1,0,0]=3 351 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [2,0,0,0,0,0|1,0,0]=3 353 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [2,0,0,0,0,0|1,0,0]=3 356 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [2,0,0,0,0,0|1,0,0]=3 357 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [2,0,0,0,0,0|1,0,0]=3 359 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [2,0,0,0,0,0|1,0,0]=3 361 B6R0.3 O=C(O)C(O)CCl CS-0186802 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.3 O=C(O)C(O)CO CS-W018821 [2,0,0,0,0,0|2,0,0]=4 363 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [2,0,0,0,0,0|0,0,0]=2 366 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.16 CCC(CO)CC(C)C CS-0152610 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [1,1,0,0,0,0|0,0,2]=4 369 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [1,1,0,0,0,0|0,0,0]=2 370 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [1,1,0,0,0,0|0,0,0]=2 371 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [1,1,0,0,0,0|1,0,0]=3 373 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [1,1,0,0,0,0|1,0,0]=3 374 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|0,0,1]=3 375 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|0,0,1]=3 376 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|0,0,0]=2 378 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|1,0,0]=3 379 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,1,0,0,0,0|0,0,0]=2 380 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,1,0,0,0,0|0,0,0]=2 381 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [1,1,0,0,0,0|0,0,0]=2 382 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [1,1,0,0,0,0|0,0,0]=2 384 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [1,1,0,0,0,0|0,0,0]=2 385 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [1,1,0,0,0,0|1,0,0]=3 386 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [1,1,0,0,0,0|0,0,0]=2 387 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [1,1,0,0,0,0|0,0,0]=2 388 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [1,1,0,0,0,0|0,0,0]=2 389 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [1,1,0,0,0,0|0,0,0]=2 390 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [1,1,0,0,0,0|0,0,0]=2 391 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [1,1,0,0,0,0|0,0,0]=2 392 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [1,1,0,0,0,0|0,0,0]=2 393 B8R0.12 C=CC[C@](C)(N)C(=O)O CS-0089888 [1,1,0,0,0,0|0,0,2]=4 394 B8R0.12 CCCC(C)(C)C(=O)O CS-0205424 [1,1,0,0,0,0|1,0,0]=3 395 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [1,1,0,0,0,0|1,0,0]=3 396 B8R0.15 CCCC(CN)C(=O)O CS-0259298 [1,1,0,0,0,0|0,0,0]=2 397 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.9 COC(=O)CNC(C)C CS-0200417 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.29 CC(C)(C)C#CC(=O)O CS-0371341 [1,1,0,0,0,0|0,0,2]=4 404 B8R0.29 CC(C)(C)NCC(=O)O CS-W021463 [1,1,0,0,0,0|1,0,0]=3 405 B8R0.29 CC(C)(C)OCC(=O)O CS-W013413 [1,1,0,0,0,0|1,0,0]=3 406 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [1,1,0,0,0,0|0,0,0]=2 407 B8R0.29 CC(F)(F)CCC(=O)O CS-0248177 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.29 CS(=O)(=O)CCC(=O)O CS-0038744 [1,1,0,0,0,0|2,0,0]=4 409 B8R0.29 C[Si](C)(C)CCC(=O)O CS-0698434 [1,1,0,0,0,0|0,1,0]=3 410 B8R0.29 O=C(O)CCC(F)(F)F CS-W007460 [1,1,0,0,0,0|2,0,0]=4 411 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0095544 [0,1,0,0,1,0|0,0,0]=2 412 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0143434 [0,1,0,0,1,0|0,0,0]=2 413 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [0,1,0,0,1,0|0,0,0]=2 414 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0143436 [0,1,0,0,1,0|0,0,0]=2 415 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0010220 [0,1,0,0,1,0|0,0,0]=2 416 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [0,1,0,0,1,0|0,0,0]=2 417 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CS-W011082 [0,1,0,0,1,0|1,0,0]=3 418 B8R0.27 CC(C)(C)C(=O)C(=O)O CS-W005305 [0,1,0,0,1,0|1,0,1]=4 419 B8R0.27 CC(C)(C)C(N)C(=O)O CS-W002302 [0,1,0,0,1,0|0,0,0]=2 420 B8R0.27 CC(C)(C)C(O)C(=O)O CS-0378432 [0,1,0,0,1,0|1,0,0]=3 421 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CS-W001954 [0,1,0,0,1,0|0,0,0]=2 422 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O CS-0436719 [0,1,0,0,1,0|1,0,0]=3 423 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-D0917 [0,1,0,0,1,0|0,0,0]=2 424 B8R0.27 CC(C)(C)[C@H](N)C(N)=O CS-0619018 [0,1,0,0,1,0|1,0,0]=3 425 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O CS-0036468 [0,1,0,0,1,0|0,0,0]=2 426 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-W006998 [0,1,0,0,1,0|0,0,0]=2 427 B8R0.27 CC(C)(S)C(N)C(=O)O CS-W018173 [0,1,0,0,1,0|0,0,0]=2 428 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CS-2334 [0,1,0,0,1,0|0,0,0]=2 429 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CS-0063723 [0,1,0,0,1,0|0,0,0]=2 430 B8R0.27 NC(C(=O)O)C(F)(F)F CS-0059723 [0,1,0,0,1,0|2,0,0]=4 431 B8R0.27 NC(C(=O)O)C(F)(F)F CS-W018267 [0,1,0,0,1,0|2,0,0]=4 432 B8R0.37 CC(C)C(C)(N)C(=O)O CS-0154330 [0,1,0,0,1,0|0,0,0]=2 433 B8R0.37 CC(C)C(C)(N)C(N)=O CS-0019531 [0,1,0,0,1,0|1,0,0]=3 434 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CS-W011102 [0,1,0,0,1,0|0,0,0]=2 435 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0166674 [0,1,0,0,1,0|2,0,0]=4 436 B10R0.82 COC(=O)CCC(N)C(=O)O CS-0150702 [0,1,0,0,0,1|1,0,1]=4 437 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,1,0,0,0,1|1,0,1]=4 438 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,1,0,0,0,1|1,0,1]=4 439 B10R0.82 NCC(O)CCC(N)C(=O)O CS-W015646 [0,1,0,0,0,1|1,0,0]=3 440 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O CS-0375848 [0,1,0,0,0,1|0,0,0]=2 441 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O CS-0043573 [0,1,0,0,0,1|0,0,0]=2 442 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O CS-W010872 [0,1,0,0,0,1|0,0,0]=2 443 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O CS-0154652 [0,1,0,0,0,1|0,0,0]=2 444 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O CS-W014954 [0,1,0,0,0,1|0,0,0]=2 445 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O CS-0013677 [0,1,0,0,0,1|2,0,0]=4 446 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O CS-0111660 [0,1,0,0,0,1|2,0,0]=4 447 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O CS-0105959 [0,1,0,0,0,1|2,0,0]=4 448 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CS-0159622 [0,1,0,0,0,1|2,0,0]=4 449 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [0,1,0,0,0,1|1,0,1]=4 450 B10R0.44 COC(=O)C[C@@H](N)CC(C)C CS-0498519 [0,1,0,0,0,1|0,0,0]=2 451 B10R0.32 CCOC(=O)C(O)CC(C)C CS-0172268 [0,2,0,0,0,0|1,0,0]=3 452 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,2,0,0,0,0|0,0,0]=2 453 B10R0.46 COC(=O)CC(N)C(=O)OC CS-0059285 [0,2,0,0,0,0|1,0,1]=4 454 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC CS-W022739 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.54 CN[C@@H](CC(C)C)C(=O)OC CS-0608653 [0,2,0,0,0,0|0,0,0]=2 456 B10R0.23 C(=O)N[C@H](CC(C)C)C(=O)O CS-0009695 [0,2,0,0,0,0|0,0,0]=2 457 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O CS-0009546 [0,2,0,0,0,0|0,0,0]=2 458 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 CS-0035888 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [1,0,0,1,0,0|1,0,1]=4 460 B8R1.1 OC[C@@H]1C[C@H](F)CN1 CS-0466009 [1,0,0,1,0,0|1,0,1]=4 461 B8R1.1 OC[C@H]1C[C@@H](F)CN1 CS-0623474 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [1,0,0,1,0,0|1,0,1]=4 463 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.5 CC1CCCNC1=O CS-0186670 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.5 NC1CCCCC1=O CS-0099232 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.5 NC1CCCCC1O CS-0128497 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.5 NC1CCCCC1O CS-0330487 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.5 NC1CCCN=C1O CS-W005854 [1,0,0,1,0,0|1,0,0]=3 470 B8R1.5 NC1CCCNC1=O CS-D0182 [1,0,0,1,0,0|1,0,0]=3 471 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [1,0,0,1,0,0|1,0,1]=4 476 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,1]=4 478 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [1,0,0,1,0,0|1,0,1]=4 480 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [1,0,0,1,0,0|1,0,1]=4 481 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.5 O=C1CCCCC1Cl CS-W013402 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.5 O=C1CCCCC1O CS-0262973 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.5 O=C1NCCCC1O CS-W008630 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|1,0,0]=3 489 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,1,0,0|1,0,0]=3 492 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|0,0,0]=2 495 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.7 O=C(O)C1CSCN1 CS-8024 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.7 O=C(O)C1NCCS1 CS-0204253 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-0171023 [1,0,0,1,0,0|0,0,2]=4 503 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-W016613 [1,0,0,1,0,0|0,0,2]=4 504 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|0,0,0]=2 505 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|0,0,0]=2 506 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|1,0,0]=3 507 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|0,0,0]=2 511 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,0]=3 512 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [1,0,0,1,0,0|1,0,0]=3 519 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [1,0,0,1,0,0|1,0,1]=4 526 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.54 N[C@@H](C(=O)O)C1CC1 CS-0054153 [1,0,0,1,0,0|0,0,0]=2 529 B8R1.54 N[C@H](C(=O)O)C1CC1 CS-W005759 [1,0,0,1,0,0|0,0,0]=2 530 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [1,0,0,1,0,0|1,0,1]=4 531 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [1,0,0,1,0,0|1,0,0]=3 532 B8R1.78 CC1(C(=O)O)CCC1 CS-W005411 [1,0,0,1,0,0|1,0,0]=3 533 B8R1.78 CC1(C(=O)O)COC1 CS-W007834 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.78 NC1(C(=O)O)CCC1 CS-B0092 [1,0,0,1,0,0|0,0,0]=2 535 B8R1.78 NC1(C(=O)O)CCC1 CS-D0209 [1,0,0,1,0,0|0,0,0]=2 536 B8R1.78 O=C(O)C1(Br)CCC1 CS-0040826 [1,0,0,1,0,0|1,0,0]=3 537 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [1,0,0,1,0,0|1,0,0]=3 538 B8R1.78 O=C(O)C1(O)COC1 CS-0051333 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [1,0,0,1,0,0|1,0,0]=3 540 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [1,0,0,1,0,0|1,0,0]=3 541 B8R1.3 CC1CCC(O)CC1 CS-0059254 [1,0,0,1,0,0|1,0,1]=4 542 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [1,0,0,1,0,0|1,0,1]=4 546 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [1,0,0,1,0,0|2,0,0]=4 548 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [1,0,0,1,0,0|0,0,2]=4 555 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|0,0,0]=2 556 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [1,0,0,1,0,0|0,0,2]=4 557 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [1,0,0,1,0,0|0,0,0]=2 558 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [1,0,0,1,0,0|1,0,0]=3 559 B8R1.77 O=C(O)C1CC1(F)F CS-B1034 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,0,0,1,1,0|2,0,0]=4 562 B10R1.13 CC1=CCC(C(=O)O)CC1 CS-0152877 [0,0,0,1,0,1|1,0,1]=4 563 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,0,0,1,0,1|1,0,0]=3 564 B10R1.13 CC1COC(C(=O)O)CN1 CS-0163346 [0,0,0,1,0,1|1,0,0]=3 565 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W003320 [0,0,0,1,0,1|2,0,0]=4 566 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,0,0,1,0,1|2,0,0]=4 567 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,0,0,1,0,1|1,0,0]=3 568 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,0,0,1,0,1|2,0,0]=4 569 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,0,0,1,0,1|2,0,0]=4 570 B10R1.13 O=C(O)C1CCC(O)CC1 CS-W016391 [0,0,0,1,0,1|2,0,0]=4 571 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-0054782 [0,0,0,1,0,1|1,0,0]=3 572 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,0,0,1,0,1|1,0,0]=3 573 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,0,0,1,0,1|2,0,0]=4 574 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 CS-M0763 [0,0,0,1,0,1|2,0,0]=4 575 B10R1.13 O=C1CCC(C(=O)O)NC1 CS-M3492 [0,0,0,1,0,1|1,0,1]=4 576 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,0,0,1,0,1|2,0,0]=4 578 B10R1.349 CC(C)N1CC(C(=O)O)C1 CS-0154197 [0,0,0,1,0,1|1,0,0]=3 579 B10R1.359 CC1(C)NC(C(=O)O)CS1 CS-0279311 [0,0,0,1,0,1|0,0,0]=2 580 B10R1.359 CC1(C)N[C@@H](C(=O)O)CS1 CS-0616015 [0,0,0,1,0,1|0,0,0]=2 581 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0201566 [0,0,0,1,0,1|0,0,0]=2 582 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0616217 [0,0,0,1,0,1|0,0,0]=2 583 B10R1.359 CC1(C)OCC(C(=O)O)O1 CS-0042636 [0,0,0,1,0,1|1,0,0]=3 584 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 CS-0099094 [0,0,0,1,0,1|1,0,0]=3 585 B10R1.470 CN1CCC(C)(C(=O)O)C1 CS-0172046 [0,0,0,1,0,1|2,0,0]=4 586 B10R1.54 CC(C)CC1CNC(=O)C1 CS-0154054 [0,0,0,1,0,1|2,0,0]=4 587 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,0,0,1,0,1|2,0,0]=4 588 B10R1.54 CC(C)C[C@H]1COC(=O)N1 CS-0316426 [0,0,0,1,0,1|1,0,0]=3 589 B10R1.329 CC1(C)CC(=O)C=C(N)C1 CS-0199484 [0,0,0,1,0,1|1,0,1]=4 590 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 CS-0052644 [0,1,0,1,0,0|1,0,0]=3 591 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 CS-0130584 [0,1,0,1,0,0|0,0,2]=4 592 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112554 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 CS-0049284 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 CS-0049291 [0,1,0,1,0,0|1,0,0]=3 606 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|1,0,0]=3 607 B10R1.14 COC(=O)[C@H]1C[C@H](F)CN1 CS-0112546 [0,1,0,1,0,0|1,0,0]=3 608 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 CS-W006629 [0,1,0,1,0,0|1,0,0]=3 609 B10R1.184 COC(=O)[C@@H](N)CC1CC1 CS-0162013 [0,1,0,1,0,0|0,0,0]=2 610 B10R1.184 COC(=O)[C@H](O)CC1CC1 CS-0137761 [0,1,0,1,0,0|1,0,0]=3 611 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,1,0,1,0,0|1,0,0]=3 612 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|2,0,0]=4 613 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0052422 [0,1,0,1,0,0|2,0,0]=4 614 B10R1.113 CN1CCOC(C(=O)O)C1 CS-0151064 [0,1,0,1,0,0|2,0,0]=4 615 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|2,0,0]=4 616 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,1,0,1,0,0|2,0,0]=4 619 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,1,0,1,0,0|0,0,0]=2 620 B10R1.204 N[C@H](CC1CCC1)C(=O)O CS-D0034 [0,1,0,1,0,0|0,0,0]=2 621 B10R2.355 O=C(O)C1NCC2CC21 CS-0051525 [0,0,0,2,0,0|0,0,0]=2 622 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 CS-0186033 [0,0,0,2,0,0|1,0,0]=3 623 B10R2.636 CC12CC(C(=O)O)(C1)C2 CS-0051246 [0,0,0,2,0,0|1,0,0]=3 624 B10R2.636 NC12CC(C(=O)O)(C1)C2 CS-W000162 [0,0,0,2,0,0|2,0,0]=4 625 B10R2.636 O=C(O)C12CC(F)(C1)C2 CS-W000150 [0,0,0,2,0,0|2,0,0]=4 626 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [1,0,0,0,0,1|1,0,1]=4 627 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,0,0,0,0,1|1,0,1]=4 628 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,0,0,0,0,1|1,0,0]=3 629 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,0,0,0,0,1|1,0,1]=4 630 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [1,0,0,0,0,1|1,0,1]=4 631 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [1,0,0,0,0,1|1,0,1]=4 632 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,0,0,0,0,1|0,0,0]=2 633 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,0,0,0,0,1|1,0,1]=4 634 B8R0.28 CN(C)CC#CC(=O)O CS-0371338 [1,0,0,0,0,1|1,0,1]=4 635 B8R0.28 CN(C)CC#CC(=O)O CS-0564430 [1,0,0,0,0,1|1,0,1]=4 636 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,0,0,0,0,1|1,0,0]=3 637 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,0,0,0,0,1|1,0,0]=3 638 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [1,0,0,0,0,1|1,0,1]=4 639 B8R0.28 CN(C)C\C=C\C(=O)O CS-0132058 [1,0,0,0,0,1|1,0,1]=4 640 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [1,0,0,0,0,1|1,0,1]=4 641 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [1,0,0,0,0,1|1,0,1]=4 642 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,0,0,0,0,2|1,0,1]=4