0 B9R0.24 C(C(=O)O[Na])=CC(=O)O[Na] CS-W016171 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.24 COC(=O)C#CC(=O)OC CS-D0471 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.24 COC(=O)CNC(=O)CN CS-0150654 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.24 COC(=O)\C=C\C(=O)OC CS-0909 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.24 NNC(=O)CCC(=O)NN CS-0149895 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.24 O=C(CCC(=O)O[Na])O[Na] CS-0144876 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.24 O=C(CCC(=O)O[Na])O[Na] CS-W016126 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.24 O=C(\C=C\C(=O)O[Na])O[Na] CS-0173442 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 C#CCCCC(=O)OC CS-0127624 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.6 C=CCCCC(=O)OC CS-0015919 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.6 CNCCCC(=O)OC CS-0112438 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.6 COC(=O)CCCC#N CS-0216788 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.6 COC(=O)CCCCBr CS-W022866 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.6 COC(=O)CCCCCl CS-0098043 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.6 COC(=O)CCCCN CS-0018002 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 COC(=O)CCCCO CS-0021769 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.6 COCCCC(=O)OC CS-W011093 [1,0,0,0,0,0|0,0,1]=2 21 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [1,0,0,0,0,0|0,0,3]=4 22 B8R0.6 C\C=C\C=C\C(=O)OC CS-0069857 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.6 C\C=C\C=C\C(=O)OC CS-0898360 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.9 C=CC(=O)NCC(=O)O CS-0239984 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.9 CC(=O)OCC(=O)CCl CS-W018134 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,0,0,0,0,0|0,0,0]=1 29 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,0,0,0,0,0|0,0,0]=1 30 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.9 COC(=O)CNC(C)C CS-0200417 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.9 COC(=O)\C=C/C(=O)O CS-0187530 [1,0,0,0,0,0|0,0,2]=3 37 B8R0.9 COC(=O)\C=C\C(=O)O CS-0026484 [1,0,0,0,0,0|0,0,2]=3 38 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [1,0,0,0,0,0|2,0,0]=3 41 B10R0.45 COC(=O)CCC(OC)OC CS-WAA0013 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.46 C=C(CC(=O)OC)C(=O)OC CS-W022632 [0,1,0,0,0,0|0,0,1]=2 43 B10R0.46 COC(=O)CC(C)C(=O)OC CS-0204877 [0,1,0,0,0,0|0,0,0]=1 44 B10R0.46 COC(=O)CC(N)C(=O)OC CS-0059285 [0,1,0,0,0,0|0,0,0]=1 45 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC CS-W022739 [0,1,0,0,0,0|0,0,0]=1 46 B10R0.46 COC(=O)\C=C(\C)C(=O)OC CS-0149232 [0,1,0,0,0,0|0,0,2]=3 47 B10R0.46 N[C@@H](CC(=O)O[Na])C(=O)O[Na] CS-0138397 [0,1,0,0,0,0|2,0,0]=3 48 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,1,0,0,0,0|0,0,0]=1 49 B10R0.108 CCOC(=O)CNC(=O)CN CS-0210211 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 CS-0130584 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.14 COC(=O)C1CCC(=O)O1 CS-0435430 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.14 COC(=O)C1CNC(=O)C1 CS-W003494 [0,0,0,1,0,0|1,0,0]=2 58 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,0,0,1,0,0|1,0,0]=2 59 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CS-D0637 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 CS-0336442 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.14 COC(=O)[C@H]1COC(=O)N1 CS-0031340 [0,0,0,1,0,0|1,0,0]=2 69 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,0,0,0,1,0|2,0,0]=3 70 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,0,0,0,1,0|1,0,0]=2 71 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,0,0,0,1,0|1,0,2]=4 72 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,0,0,0,1,0|2,0,1]=4 73 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,0,0,0,1,0|2,0,1]=4 74 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,0,0,0,1,0|2,0,0]=3 75 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,0,0,0,1,0|0,0,0]=1 76 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,0,0,0,1,0|1,0,0]=2 77 B8R0.19 O=C(CC(=O)O[Na])O[Na] CS-W017881 [0,0,0,0,1,0|2,0,0]=3 78 B10R0.59 COC(=O)CCCC(=O)OC CS-0130885 [0,0,0,0,0,1|0,0,0]=1 79 B10R0.59 COC(=O)CNCC(=O)OC CS-0128929 [0,0,0,0,0,1|0,0,0]=1 80 B10R0.59 COC(=O)CSCC(=O)OC CS-0150674 [0,0,0,0,0,1|0,0,0]=1 81 B10R0.59 COC(=O)\C=C\CC(=O)OC CS-0130488 [0,0,0,0,0,1|0,0,1]=2 82 B7R0.3 C#CCCC(=O)OC CS-0137200 [2,0,0,0,0,0|0,0,2]=4 83 B7R0.3 C=CCCC(=O)OC CS-0187527 [2,0,0,0,0,0|0,0,1]=3 84 B7R0.3 C=CCOC(=O)OC CS-0040098 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [2,0,0,0,0,0|1,0,1]=4 86 B7R0.3 CCCOC(=O)OC CS-0111112 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.3 CNCCC(=O)OC CS-0150994 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.3 COC(=O)CCC#N CS-W009546 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.3 COC(=O)CCCBr CS-W004701 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.3 COC(=O)CCCCl CS-0001466 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.3 COC(=O)CCCI CS-0001467 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.3 COC(=O)CCCN CS-W019991 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.3 COC(=O)CCSC CS-0128902 [2,0,0,0,0,0|0,1,0]=3 94 B7R0.3 COC(=O)CNC=O CS-0187476 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.3 COCCC(=O)OC CS-0072438 [2,0,0,0,0,0|0,0,0]=2 96 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [2,0,0,0,0,0|0,0,1]=3 97 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [2,0,0,0,0,0|0,0,1]=3 98 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.4 CNCCCC(=O)O CS-0096860 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.4 CNCCCC(=O)O CS-0133777 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.4 COCCCC(=O)O CS-W001021 [2,0,0,0,0,0|0,0,1]=3 102 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [2,0,0,0,0,0|0,0,2]=4 104 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [2,0,0,0,0,0|0,0,0]=2 107 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [2,0,0,0,0,0|0,0,0]=2 108 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [2,0,0,0,0,0|1,0,0]=3 110 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [2,0,0,0,0,0|0,0,2]=4 113 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [2,0,0,0,0,0|1,1,0]=4 114 B7R0.6 CC(C)CCC(=O)O CS-W016598 [2,0,0,0,0,0|1,0,1]=4 115 B7R0.6 CC(N)CCC(=O)O CS-0276521 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.6 CN(C)CCC(=O)O CS-W007826 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [2,0,0,0,0,0|0,0,2]=4 122 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [2,0,0,0,0,0|0,0,0]=2 123 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [2,0,0,0,0,0|0,0,0]=2 124 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [2,0,0,0,0,0|0,0,2]=4 125 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0158417 [2,0,0,0,0,0|0,0,2]=4 126 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [1,1,0,0,0,0|1,0,1]=4 127 B9R0.5 CCOCCC(=O)OCC CS-W013312 [1,1,0,0,0,0|2,0,0]=4 128 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [1,1,0,0,0,0|1,0,1]=4 131 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [1,1,0,0,0,0|0,1,1]=4 132 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [1,1,0,0,0,0|0,1,1]=4 133 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [1,1,0,0,0,0|0,1,1]=4 134 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [1,1,0,0,0,0|0,0,2]=4 135 B9R0.46 CCCCCCC(=O)OC CS-0182587 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.46 COC(=O)CCCCCBr CS-W015176 [1,1,0,0,0,0|1,0,1]=4 137 B9R0.46 COC(=O)CCCCCN CS-W008066 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.46 COC(=O)CCCCCO CS-0187523 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.7 C=C(C)C(=O)NCC(=O)O CS-0158074 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [1,1,0,0,0,0|2,0,0]=4 141 B9R0.7 CC(Cl)C(=O)NCC(=O)O CS-0161354 [1,1,0,0,0,0|2,0,0]=4 142 B9R0.7 CC(S)C(=O)NCC(=O)O CS-2431 [1,1,0,0,0,0|2,0,0]=4 143 B9R0.7 CN(C)C(=O)CCC(=O)O CS-0205917 [1,1,0,0,0,0|1,0,0]=3 144 B9R0.7 CN(C)C(=O)NCC(=O)O CS-0325340 [1,1,0,0,0,0|2,0,0]=4 145 B9R0.7 C[C@H](N)C(=O)NCC(=O)O CS-W010993 [1,1,0,0,0,0|2,0,0]=4 146 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [1,1,0,0,0,0|2,0,0]=4 147 B9R0.23 C=C(NC(C)=O)C(=O)OC CS-D1354 [1,1,0,0,0,0|1,0,1]=4 148 B9R0.23 COC(=O)C(=O)CC(C)=O CS-W009533 [1,1,0,0,0,0|0,0,1]=3 149 B9R0.23 COC(=O)C(Br)CC(C)C CS-0465894 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.23 COC(=O)C(C)NC(C)=O CS-0154002 [1,1,0,0,0,0|1,0,0]=3 151 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [1,1,0,0,0,0|0,0,0]=2 152 B9R0.23 COC(=O)C(N)CC(C)C CS-0213107 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CS-0158251 [1,1,0,0,0,0|1,0,0]=3 155 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [1,1,0,0,0,0|0,0,0]=2 156 B9R0.23 COC(=O)[C@H](C)NC(C)=O CS-0158183 [1,1,0,0,0,0|1,0,0]=3 157 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [1,1,0,0,0,0|0,0,0]=2 158 B9R0.23 COC(=O)[C@H](N)CC(C)C CS-W017141 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.23 COC(=O)[C@H](N)CC(N)=O CS-0143814 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.42 C=C(CC(=O)OC)C(=O)O CS-0145620 [1,1,0,0,0,0|0,0,1]=3 162 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.42 COC(=O)CC(=O)C(=O)O CS-0187025 [1,1,0,0,0,0|0,0,1]=3 165 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [1,1,0,0,0,0|0,0,0]=2 166 B9R0.42 COC(=O)C[C@@H](C)C(=O)O CS-0186135 [1,1,0,0,0,0|0,0,0]=2 167 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [1,1,0,0,0,0|0,0,0]=2 168 B9R0.42 COC(=O)C[C@@H](N)C(C)C CS-0171929 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.42 COC(=O)C[C@H](C)C(=O)O CS-0309762 [1,1,0,0,0,0|0,0,0]=2 170 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [1,1,0,0,0,0|0,0,0]=2 171 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.42 COC(=O)C[C@H](N)C(C)C CS-0171932 [1,1,0,0,0,0|1,0,1]=4 173 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CS-0142429 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O CS-0199399 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [1,1,0,0,0,0|0,0,0]=2 177 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [1,1,0,0,0,0|0,0,0]=2 178 B9R0.48 CCOC(=O)CCC(C)Br CS-0139323 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.48 CCOC(=O)CCN(C)C CS-0124937 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [1,1,0,0,0,0|1,0,0]=3 182 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [1,1,0,0,0,0|1,0,0]=3 183 B9R0.48 CCOC(=O)\C=C\C(=O)O CS-0030808 [1,1,0,0,0,0|0,0,2]=4 184 B9R0.26 COC(=O)CC(OC)OC CS-W018190 [0,1,0,0,1,0|0,0,2]=4 185 B9R0.26 COC(=O)\C=C(/CCl)OC CS-W001859 [0,1,0,0,1,0|1,0,1]=4 186 B9R0.27 CC(C(=O)O[Na])C(=O)O[Na] CS-0620382 [0,1,0,0,1,0|2,0,0]=4 187 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,1,0,0,1,0|1,0,0]=3 188 B9R0.27 COC(=O)C(C)C(=O)OC CS-W010994 [0,1,0,0,1,0|0,0,0]=2 189 B9R0.27 COC(=O)C(Cl)C(=O)OC CS-W010804 [0,1,0,0,1,0|0,0,0]=2 190 B9R0.27 COC(=O)C(F)C(=O)OC CS-0020165 [0,1,0,0,1,0|0,0,0]=2 191 B9R0.27 COC(=O)C(N)C(=O)OC CS-0132445 [0,1,0,0,1,0|0,0,0]=2 192 B11R0.110 COC(=O)CC(=O)CC(=O)OC CS-W017517 [0,1,0,0,0,1|0,0,0]=2 193 B11R0.110 COC(=O)CC(N)CC(=O)OC CS-W022630 [0,1,0,0,0,1|0,0,0]=2 194 B11R0.110 COC(=O)CC(O)CC(=O)OC CS-W008294 [0,1,0,0,0,1|0,0,0]=2 195 B11R0.120 COC(=O)CCC(=O)C(=O)OC CS-0103277 [0,1,0,0,0,1|0,0,0]=2 196 B11R0.120 COC(=O)CCC(Br)C(=O)OC CS-0139396 [0,1,0,0,0,1|0,0,0]=2 197 B11R0.120 COC(=O)CCC(N)C(=O)OC CS-0150701 [0,1,0,0,0,1|0,0,0]=2 198 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC CS-0021386 [0,1,0,0,0,1|0,0,0]=2 199 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC CS-W020521 [0,1,0,0,0,1|0,0,0]=2 200 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] CS-0144323 [0,1,0,0,0,1|2,0,0]=4 201 B11R0.120 O=C(CC[C@H](O)C(=O)O[Na])O[Na] CS-W015830 [0,1,0,0,0,1|2,0,0]=4 202 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC CS-W017345 [0,2,0,0,0,0|0,0,0]=2 203 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC CS-0093793 [0,2,0,0,0,0|0,0,0]=2 204 B11R0.66 O=C(O[Na])[C@H](O)[C@@H](O)C(=O)O[K] CS-0017804 [0,2,0,0,0,0|2,0,0]=4 205 B11R0.66 O=C(O[Na])[C@H](O)[C@@H](O)C(=O)O[K] CS-0020513 [0,2,0,0,0,0|2,0,0]=4 206 B11R0.66 O=C(O[Na])[C@H](O)[C@@H](O)C(=O)O[Na] CS-0099272 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.88 COC(=O)C[C@H](OC)C(=O)OC CS-0775659 [0,2,0,0,0,0|0,0,0]=2 208 B11R0.62 CCOC(=O)C#CC(=O)OCC CS-W020105 [0,2,0,0,0,0|0,0,2]=4 209 B11R0.62 CCOC(=O)CCC(=O)OCC CS-0015811 [0,2,0,0,0,0|0,0,0]=2 210 B11R0.62 CCOC(=O)NNC(=O)OCC CS-0130626 [0,2,0,0,0,0|2,0,0]=4 211 B11R0.62 CCOC(=O)\C=C/C(=O)OCC CS-0017148 [0,2,0,0,0,0|0,0,2]=4 212 B11R0.62 CCOC(=O)\C=C\C(=O)OCC CS-W010772 [0,2,0,0,0,0|0,0,2]=4 213 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [1,0,0,1,0,0|1,0,1]=4 215 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [1,0,0,1,0,0|1,0,0]=3 216 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [1,0,0,1,0,0|0,0,1]=3 219 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.79 COC(=O)CC1COC1 CS-0049199 [1,0,0,1,0,0|0,0,1]=3 222 B9R1.132 COC1=C(Br)C(=O)CC1 CS-0040747 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.35 NC(=O)C1CNC(=O)C1 CS-0036847 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.35 O=C1NCC(C(=O)O)N1 CS-0062204 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 CS-0072318 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 CS-0455875 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.35 O=C1NC[C@H](C(=O)O)N1 CS-0527049 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CS-0110970 [1,0,0,1,0,0|1,1,0]=4 240 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [1,0,0,1,0,0|1,0,0]=3 242 B9R1.69 CN1CC(=O)NCC1=O CS-0058034 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [1,0,0,1,0,0|0,0,0]=2 245 B9R1.82 COC(=O)C1CC(F)C1 CS-0184849 [1,0,0,1,0,0|1,0,1]=4 246 B9R1.82 COC(=O)C1CC(N)C1 CS-W003888 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.82 COC(=O)C1CC(O)C1 CS-0044067 [1,0,0,1,0,0|0,0,2]=4 248 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 CS-W022617 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 CS-0043491 [1,0,0,1,0,0|0,0,2]=4 250 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 CS-0048877 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 CS-0048879 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.82 [C@H]1(O)C[C@H](C(=O)OC)C1 CS-W004965 [1,0,0,1,0,0|0,0,2]=4 253 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,0,0,1,1,0|2,0,0]=4 254 B11R1.22 COC(=O)C1CCC(=O)CC1 CS-W005848 [0,0,0,1,0,1|1,0,0]=3 255 B11R1.22 COC(=O)C1CCC(=O)NC1 CS-0044684 [0,0,0,1,0,1|1,0,0]=3 256 B11R1.22 COC(=O)N1CCC(=O)CC1 CS-W004200 [0,0,0,1,0,1|1,0,0]=3 257 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)OC CS-0028052 [0,0,0,1,0,1|0,0,0]=2 258 B11R1.851 COC(=O)[C@H]1C[C@H]1C(=O)OC CS-0054272 [0,0,0,1,0,1|0,0,0]=2 259 B11R1.865 COC(=O)C1CCC(=O)N1C CS-W001488 [0,0,0,1,0,1|1,0,0]=3 260 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C CS-0151231 [0,0,0,1,0,1|1,0,0]=3 261 B11R1.23 COC(=O)C1CCCC(=O)C1 CS-0055069 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.23 COC(=O)C1CCNC(=O)C1 CS-0043672 [0,1,0,1,0,0|1,0,0]=3 263 B11R1.23 COC(=O)C1CNNC(=O)C1 CS-0463986 [0,1,0,1,0,0|1,0,0]=3 264 B11R1.23 COC(=O)N1CCCC(=O)C1 CS-0654835 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 CS-0182633 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.226 COC(=O)C1CC(=O)N(C)C1 CS-0036090 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.228 COC(=O)CN1CCCC1=O CS-0145463 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.15 CCOC(=O)C1CC(=O)CO1 CS-0638068 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.15 CCOC(=O)C1CCC(=O)C1 CS-W001588 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS-0148328 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.15 CCOC(=O)C1CNC(=O)C1 CS-W016224 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CS-W020688 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CS-W002063 [0,1,0,1,0,0|2,0,0]=4 274 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,0,0,0,1,0|1,0,0]=3 275 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [1,0,0,0,1,0|1,0,0]=3 276 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,1,0|0,0,0]=2 277 B7R0.2 COC(=O)CC(C)N CS-0147336 [1,0,0,0,1,0|1,0,1]=4 278 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,0,0,0,1,0|1,0,0]=3 279 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [1,0,0,0,1,0|1,0,1]=4 280 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,0,0,0,1,0|1,0,1]=4 281 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [1,0,0,0,1,0|1,0,1]=4 282 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [1,0,0,0,1,0|1,0,1]=4 283 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [1,0,0,0,1,0|1,0,1]=4 284 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [1,0,0,0,1,0|0,0,2]=4 285 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,0,0,0,1,0|0,0,2]=4 286 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,0,0,0,2,0|2,0,0]=4 287 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,0,0,0,2,0|2,0,0]=4 288 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,0,0,0,2,0|2,0,0]=4 289 B7R0.10 COC(=O)C(=O)NN CS-0265222 [0,0,0,0,2,0|2,0,0]=4 290 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,0,0,0,2,0|1,0,0]=3 291 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,0,0,0,2,0|1,0,1]=4 292 B7R0.10 O=C(O[Na])C(=O)O[Na] CS-0015712 [0,0,0,0,2,0|2,0,0]=4 293 B11R0.106 COC(=O)CCCCC(=O)OC CS-W016017 [0,0,0,0,0,2|0,0,0]=2 294 B11R0.106 COC(=O)CCSCC(=O)OC CS-W015811 [0,0,0,0,0,2|0,0,0]=2