0 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,0,0,0,0,0|1,0,0]=1 35 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,0,0,0,0,0|0,0,2]=2 36 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,0,0,0,0,0|0,0,2]=2 38 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,0,0,0,0,0|0,0,0]=0 40 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,0,0,0,0,0|0,0,0]=0 41 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,0,0,0,0,0|0,0,0]=0 42 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,0,0,0,0,0|0,0,0]=0 43 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,0,0,0,0,0|0,0,0]=0 44 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,0,0,0,0,0|0,0,0]=0 45 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,0,0,0,0,0|0,0,0]=0 46 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,0,0,0,0,0|0,0,0]=0 47 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,0,0,0,0,0|0,0,0]=0 48 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,0,0,0,0,0|0,0,0]=0 49 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,0,0,0,0,0|0,0,0]=0 50 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,0,0,0,0,0|0,0,0]=0 51 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,0,0,0,0,0|0,0,0]=0 52 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,0,0,0,0,0|0,0,0]=0 53 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,0,0,0,0,0|0,0,0]=0 54 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,0,0,0,0,0|0,2,0]=2 55 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,0,0,0,0,0|0,0,0]=0 56 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,0,0,0,0,0|0,0,0]=0 57 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,0,0,0,0,0|0,0,0]=0 58 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,0,0,0,0,0|0,0,0]=0 59 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,0,0,0,0,0|0,0,0]=0 60 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,0,0,0,0,0|0,0,0]=0 61 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,0,0,0,0,0|0,0,0]=0 62 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,0,0,0,0,0|0,0,0]=0 63 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,0,0,0,0,0|0,0,0]=0 65 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,0,0,0,0,0|0,0,0]=0 66 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,0,0,0,0,0|0,0,0]=0 67 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,0,0,0,0,0|0,0,0]=0 68 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,0,0,0,0,0|0,0,0]=0 69 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,0,0,0,0,0|0,0,0]=0 70 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,0,0,0,0,0|0,2,0]=2 71 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,0,0,0,0,0|0,0,1]=1 72 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,0,0,0,0,0|0,0,1]=1 73 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,0,0,0,0,0|0,0,2]=2 74 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,0,0,0,0,0|0,0,2]=2 75 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,0,0,0,0,0|0,0,1]=1 76 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,0,0,0,0,0|0,0,1]=1 77 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,0,0,0,0,0|0,0,1]=1 78 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,0,0,0,0,0|0,0,1]=1 79 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,0,0,0,0,0|0,0,2]=2 80 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,0,0,0,0,0|0,0,2]=2 81 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,0,0,0,0,0|0,0,2]=2 82 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,0,0,0,0,0|0,0,2]=2 83 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,0,0,0,0,0|0,0,0]=0 85 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,0,0,0,0,0|0,0,0]=0 86 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,0,0,0,0,0|0,0,1]=1 87 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [1,0,0,0,0,0|1,0,1]=3 89 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [1,0,0,0,0,0|1,0,1]=3 90 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [1,0,0,0,0,0|1,0,1]=3 109 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [1,0,0,0,0,0|1,0,1]=3 111 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [1,0,0,0,0,0|1,0,1]=3 112 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,0,0,0,0,0|0,0,1]=2 113 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,0,0,0,0,0|0,0,1]=2 114 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,0,0,0,0,0|0,0,1]=2 115 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [1,0,0,0,0,0|0,0,2]=3 116 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [1,0,0,0,0,0|0,0,2]=3 117 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [1,0,0,0,0,0|0,0,2]=3 118 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|1,0,2]=4 119 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|1,0,2]=4 121 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|3,0,0]=4 134 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|1,0,1]=3 136 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|2,0,0]=3 140 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|2,0,0]=3 142 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|2,0,0]=3 143 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|1,0,0]=2 146 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,0,0,0,0,0|2,0,1]=4 162 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|1,0,0]=2 170 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|1,0,0]=2 171 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|1,0,0]=2 182 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|1,0,0]=2 183 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|1,0,0]=2 190 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|1,0,0]=2 191 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|2,0,0]=3 196 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|2,0,0]=3 197 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|2,0,0]=3 199 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|2,0,0]=3 200 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|1,0,0]=2 214 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|1,0,0]=2 215 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,0,0,0,0,0|1,0,1]=3 216 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,0,0,0,0,0|1,0,1]=3 217 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|1,0,1]=3 218 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,0,0,0,0,0|1,0,2]=4 219 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,0,0,0,0,0|1,0,2]=4 220 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|1,0,0]=2 221 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|1,0,0]=2 222 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,0,0,0,0,0|1,0,1]=3 223 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|1,0,1]=3 224 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,0,0,0,0,0|1,0,2]=4 225 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,0,0,0,0,0|1,0,2]=4 226 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,0,0,0,0,0|1,0,2]=4 227 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,0,0,0,0,0|1,0,2]=4 228 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,0,0,0,0,0|1,0,2]=4 229 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|2,0,0]=3 231 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|1,0,0]=2 232 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|1,0,2]=4 233 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|1,0,2]=4 234 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|1,0,2]=4 235 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|0,0,2]=3 236 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|1,0,0]=2 237 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|1,0,0]=2 238 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|1,0,0]=2 239 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|0,0,0]=1 240 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|0,0,0]=1 241 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|0,0,0]=1 242 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|0,1,0]=2 243 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|1,0,0]=2 244 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|1,0,0]=2 245 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|0,0,0]=1 246 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|0,0,0]=1 247 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|1,0,0]=2 248 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|1,0,0]=2 249 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|1,0,0]=2 250 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|0,0,0]=1 251 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|0,0,0]=1 252 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|0,0,1]=2 253 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|0,1,0]=2 254 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|1,0,0]=2 256 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [1,0,0,0,0,0|1,0,2]=4 259 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9778088155 [0,1,0,0,0,0|1,0,2]=4 260 B10R0.56 CC(O)C(O)C(O)C(=O)CO MCULE-2886927565 [0,1,0,0,0,0|1,0,1]=3 261 B10R0.56 CC(O)C(O)C(O)C(O)C=O MCULE-6097578080 [0,1,0,0,0,0|1,0,2]=4 262 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,1,0,0,0,0|0,0,0]=1 263 B10R0.56 COC(=O)N(C)C(C)C(=O)O MCULE-4638063780 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-1516990203 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-7050195142 [0,1,0,0,0,0|3,0,0]=4 266 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O MCULE-3862916687 [0,1,0,0,0,0|3,0,0]=4 267 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O MCULE-3517544145 [0,1,0,0,0,0|1,0,2]=4 268 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O MCULE-1903409422 [0,1,0,0,0,0|1,0,2]=4 269 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-2616646896 [0,1,0,0,0,0|1,0,2]=4 270 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-4428571629 [0,1,0,0,0,0|1,0,2]=4 271 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO MCULE-3348912936 [0,1,0,0,0,0|1,0,1]=3 272 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-8790889816 [0,1,0,0,0,0|1,0,2]=4 273 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-2861923121 [0,1,0,0,0,0|1,0,2]=4 274 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-8537687861 [0,1,0,0,0,0|1,0,2]=4 275 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-9991352135 [0,1,0,0,0,0|1,0,2]=4 276 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO MCULE-9304342847 [0,1,0,0,0,0|1,0,1]=3 277 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O MCULE-2276964584 [0,1,0,0,0,0|1,0,2]=4 278 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O MCULE-3902075519 [0,1,0,0,0,0|1,0,2]=4 279 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)C(=O)CO MCULE-4801729849 [0,1,0,0,0,0|1,0,1]=3 280 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,1,0,0,0,0|0,0,2]=3 281 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,1,0,0,0,0|0,0,2]=3 282 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,1,0,0,0,0|0,0,2]=3 283 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,1,0,0,0,0|0,0,2]=3 284 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,1,0,0,0,0|0,0,2]=3 285 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,1,0,0,0,0|0,0,2]=3 286 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,1,0,0,0,0|0,0,2]=3 287 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,1,0,0,0,0|0,0,2]=3 288 B10R0.56 O=C([O-])C(O)C(O)C(O)CO MCULE-4342169432 [0,1,0,0,0,0|0,0,3]=4 289 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1900135831 [0,1,0,0,0,0|0,0,3]=4 290 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6201769573 [0,1,0,0,0,0|0,0,3]=4 291 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6879618844 [0,1,0,0,0,0|0,0,3]=4 292 B10R0.56 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO MCULE-3794075484 [0,1,0,0,0,0|0,0,3]=4 293 B10R0.117 O=C(O)C(F)C(F)(F)C(=O)O MCULE-7067726417 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|2,0,0]=3 297 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|3,0,0]=4 298 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|2,0,0]=3 299 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|2,0,0]=3 300 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|2,0,0]=3 301 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|2,0,0]=3 302 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|2,0,0]=3 303 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|2,0,0]=3 304 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|2,0,0]=3 305 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,0,0,0,0,1|3,0,0]=4 306 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,0,0,0,0,1|3,0,0]=4 307 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,0,0,0,0,1|3,0,0]=4 308 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,0,0,0,0,1|3,0,0]=4 309 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,0,0,0,0,1|3,0,0]=4 310 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,0,0,0,0,1|3,0,0]=4 311 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,0,0,0,0,1|3,0,0]=4 312 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,0,0,0,0,1|2,0,0]=3 313 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,0,0,0,0,1|2,0,0]=3 314 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,0,0,0,0,1|2,0,0]=3 315 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,0,0,0,0,1|2,0,0]=3 316 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,0,0,0,0,1|1,0,0]=2 317 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,0,0,0,0,1|2,0,0]=3 318 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,0,0,0,0,1|0,0,1]=2 319 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,0,0,0,0,1|0,0,1]=2 320 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,0,0,0,0,1|2,0,1]=4 321 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,0,0,0,0,1|2,0,0]=3 322 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,0,0,0,0,1|2,0,0]=3 323 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,0,0,0,0,1|2,0,0]=3 324 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,0,0,0,0,1|2,0,0]=3 325 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,0,0,0,0,1|2,0,0]=3 326 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,0,0,0,0,1|3,0,0]=4 327 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,0,0,0,0,1|3,0,0]=4 328 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,0,0,0,0,1|2,0,0]=3 329 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,0,0,0,0,1|2,0,0]=3 330 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,0,0,0,0,1|2,0,0]=3 331 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,0,0,0,0,1|1,0,0]=2 332 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,0,0,0,0,1|2,0,0]=3 333 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,0,0,0,0,1|2,0,0]=3 334 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,0,0,0,0,1|2,0,0]=3 335 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,0,0,0,0,1|1,0,0]=2 336 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,0,0,0,0,1|1,0,0]=2 337 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,0,0,0,0,1|2,0,0]=3 338 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,0,0,0,0,1|2,0,0]=3 339 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,0,0,0,0,1|2,0,0]=3 340 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,0,0,0,0,1|2,0,0]=3 341 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,0,0,0,0,1|2,0,0]=3 342 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,0,0,0,0,1|2,0,0]=3 343 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,0,0,0,0,1|2,0,0]=3 344 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,0,0,0,0,1|2,0,0]=3 345 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,0,0,0,0,1|1,0,0]=2 346 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,0,0,0,0,1|1,0,0]=2 347 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,0,0,0,0,1|2,0,0]=3 348 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,0,0,0,0,1|2,0,0]=3 349 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,0,0,0,0,1|2,0,0]=3 350 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,0,0,0,0,1|2,0,0]=3 351 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,0,0,0,0,1|1,0,0]=2 352 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,0,0,0,0,1|2,0,0]=3 353 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,0,0,0,0,1|0,0,0]=1 354 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [2,0,0,0,0,0|1,0,1]=4 355 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [2,0,0,0,0,0|1,0,1]=4 360 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,1]=4 362 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,1]=4 363 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,1]=4 364 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [2,0,0,0,0,0|1,0,1]=4 366 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [2,0,0,0,0,0|1,0,1]=4 368 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [2,0,0,0,0,0|1,0,1]=4 369 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,1]=4 373 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,0,1]=3 374 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,0,1]=3 375 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [2,0,0,0,0,0|0,0,2]=4 376 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [2,0,0,0,0,0|0,0,2]=4 377 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [2,0,0,0,0,0|1,0,0]=3 378 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|2,0,0]=4 380 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|2,0,0]=4 384 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|1,0,0]=3 385 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|2,0,0]=4 386 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|2,0,0]=4 387 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|2,0,0]=4 388 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|1,0,0]=3 390 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|2,0,0]=4 391 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|2,0,0]=4 392 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|2,0,0]=4 393 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|1,0,0]=3 395 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,1]=4 396 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|2,0,0]=4 397 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [2,0,0,0,0,0|1,0,1]=4 398 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,1]=4 400 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,1]=4 401 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [2,0,0,0,0,0|2,0,0]=4 404 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|1,0,1]=4 408 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|1,0,1]=4 411 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|1,0,1]=4 417 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|1,0,1]=4 418 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|0,0,1]=3 419 B7R0.10 C=CC(O)C(O)C=C MCULE-2505322919 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [2,0,0,0,0,0|0,0,0]=2 421 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [2,0,0,0,0,0|0,0,1]=3 422 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [2,0,0,0,0,0|0,0,1]=3 423 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [2,0,0,0,0,0|0,0,1]=3 424 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [2,0,0,0,0,0|0,0,1]=3 425 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [2,0,0,0,0,0|0,0,1]=3 426 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [2,0,0,0,0,0|0,0,1]=3 427 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [2,0,0,0,0,0|0,0,1]=3 428 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [2,0,0,0,0,0|0,0,2]=4 429 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [2,0,0,0,0,0|0,0,2]=4 430 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [2,0,0,0,0,0|0,0,2]=4 431 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [2,0,0,0,0,0|0,0,2]=4 432 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [2,0,0,0,0,0|0,0,2]=4 433 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [2,0,0,0,0,0|0,0,2]=4 434 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [2,0,0,0,0,0|1,0,1]=4 438 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [2,0,0,0,0,0|1,0,1]=4 439 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [2,0,0,0,0,0|1,0,1]=4 440 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [2,0,0,0,0,0|1,0,1]=4 441 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [2,0,0,0,0,0|1,0,1]=4 442 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [2,0,0,0,0,0|1,0,1]=4 443 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [2,0,0,0,0,0|1,0,1]=4 444 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [2,0,0,0,0,0|1,0,1]=4 445 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [2,0,0,0,0,0|1,0,1]=4 446 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [2,0,0,0,0,0|1,0,1]=4 447 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [2,0,0,0,0,0|1,0,1]=4 448 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [2,0,0,0,0,0|1,0,1]=4 449 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [2,0,0,0,0,0|1,0,1]=4 450 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [2,0,0,0,0,0|1,0,1]=4 451 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [2,0,0,0,0,0|1,0,1]=4 452 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [2,0,0,0,0,0|1,0,1]=4 453 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [2,0,0,0,0,0|1,0,1]=4 454 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [2,0,0,0,0,0|1,0,1]=4 455 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [2,0,0,0,0,0|1,0,1]=4 456 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [2,0,0,0,0,0|0,0,1]=3 457 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [2,0,0,0,0,0|1,0,1]=4 458 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [2,0,0,0,0,0|1,0,1]=4 459 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [2,0,0,0,0,0|1,0,1]=4 460 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [2,0,0,0,0,0|1,0,1]=4 461 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [2,0,0,0,0,0|1,0,1]=4 462 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [2,0,0,0,0,0|1,0,1]=4 463 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [2,0,0,0,0,0|1,0,1]=4 464 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [2,0,0,0,0,0|1,0,1]=4 465 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [2,0,0,0,0,0|1,0,1]=4 466 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [2,0,0,0,0,0|1,0,1]=4 467 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [2,0,0,0,0,0|1,0,1]=4 468 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [2,0,0,0,0,0|1,0,1]=4 469 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [2,0,0,0,0,0|0,0,1]=3 470 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [2,0,0,0,0,0|2,0,0]=4 471 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|2,0,0]=4 472 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 473 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|2,0,0]=4 474 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 475 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|2,0,0]=4 476 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 477 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 478 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|2,0,0]=4 479 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|2,0,0]=4 480 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|2,0,0]=4 481 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 482 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 483 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|2,0,0]=4 484 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|1,0,0]=3 485 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|2,0,0]=4 486 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 487 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [2,0,0,0,0,0|2,0,0]=4 488 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|0,0,2]=4 489 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|0,0,2]=4 490 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|0,0,2]=4 491 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [2,0,0,0,0,0|0,0,2]=4 492 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|0,0,2]=4 493 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|0,0,2]=4 494 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|0,0,2]=4 495 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|0,0,2]=4 496 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|0,0,2]=4 497 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 498 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|0,0,0]=2 499 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|0,0,0]=2 500 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,1]=4 501 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [2,0,0,0,0,0|2,0,0]=4 502 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|0,0,1]=3 503 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [2,0,0,0,0,0|0,0,2]=4 504 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [1,1,0,0,0,0|1,0,1]=4 505 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [1,1,0,0,0,0|0,0,1]=3 506 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [1,1,0,0,0,0|0,0,1]=3 507 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [1,1,0,0,0,0|0,0,1]=3 508 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [1,1,0,0,0,0|0,0,1]=3 509 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [1,1,0,0,0,0|0,0,1]=3 510 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [1,1,0,0,0,0|0,0,1]=3 511 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [1,1,0,0,0,0|0,0,1]=3 512 B9R0.27 O=CC(O)C(O)C(O)CO MCULE-9562771067 [1,1,0,0,0,0|0,0,2]=4 513 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-1120126008 [1,1,0,0,0,0|0,0,2]=4 514 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-2723797968 [1,1,0,0,0,0|0,0,2]=4 515 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1190384749 [1,1,0,0,0,0|0,0,2]=4 516 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2266732421 [1,1,0,0,0,0|0,0,2]=4 517 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-1097497548 [1,1,0,0,0,0|0,0,2]=4 518 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7909984167 [1,1,0,0,0,0|0,0,2]=4 519 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1895838145 [1,1,0,0,0,0|0,0,2]=4 520 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7112552451 [1,1,0,0,0,0|0,0,2]=4 521 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-2590073916 [1,1,0,0,0,0|0,0,2]=4 522 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-9133960721 [1,1,0,0,0,0|0,0,2]=4 523 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2277980048 [1,1,0,0,0,0|0,0,2]=4 524 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2928575905 [1,1,0,0,0,0|0,0,2]=4 525 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-4972279660 [1,1,0,0,0,0|0,0,2]=4 526 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-6692095263 [1,1,0,0,0,0|0,0,2]=4 527 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-7503149757 [1,1,0,0,0,0|0,0,2]=4 528 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9189507099 [1,1,0,0,0,0|0,0,2]=4 529 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9734013313 [1,1,0,0,0,0|0,0,2]=4 530 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [1,1,0,0,0,0|1,0,1]=4 531 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [1,1,0,0,0,0|1,0,1]=4 532 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [1,1,0,0,0,0|1,0,1]=4 533 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [1,1,0,0,0,0|2,0,0]=4 534 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|2,0,0]=4 535 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|1,0,0]=3 536 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|1,0,0]=3 537 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|1,0,0]=3 538 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|0,0,0]=2 539 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|1,0,0]=3 540 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|1,0,0]=3 541 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|2,0,0]=4 543 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|1,0,0]=3 544 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|0,0,0]=2 545 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [1,1,0,0,0,0|1,0,0]=3 546 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|0,1,0]=3 547 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|1,0,0]=3 548 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|1,0,1]=4 549 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|2,0,0]=4 550 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|1,0,0]=3 551 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|1,0,0]=3 554 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [1,1,0,0,0,0|2,0,0]=4 555 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|1,0,0]=3 556 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [1,1,0,0,0,0|2,0,0]=4 557 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [1,1,0,0,0,0|2,0,0]=4 559 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|1,0,0]=3 561 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|1,0,0]=3 562 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|0,0,0]=2 563 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|0,0,0]=2 564 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [1,1,0,0,0,0|2,0,0]=4 565 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [1,1,0,0,0,0|2,0,0]=4 566 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [1,1,0,0,0,0|2,0,0]=4 567 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [1,1,0,0,0,0|2,0,0]=4 568 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|1,0,0]=3 569 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|1,0,0]=3 570 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|1,0,0]=3 571 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|0,0,0]=2 572 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|0,0,0]=2 573 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [1,1,0,0,0,0|2,0,0]=4 574 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|0,0,2]=4 575 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|0,0,2]=4 576 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|1,0,0]=3 577 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [1,1,0,0,0,0|2,0,0]=4 578 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [1,1,0,0,0,0|2,0,0]=4 579 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [1,1,0,0,0,0|2,0,0]=4 580 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [1,1,0,0,0,0|2,0,0]=4 581 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|1,0,1]=4 582 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|1,0,0]=3 583 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,1,0,0,0,0|1,0,0]=3 584 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,1,0,0,0,0|2,0,0]=4 585 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,1,0,0,0,0|1,0,0]=3 586 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,1,0,0,0,0|1,0,0]=3 587 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,1,0,0,0,0|1,0,0]=3 588 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,1,0,0,0,0|2,0,0]=4 589 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,1,0,0,0,0|1,0,0]=3 590 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,1,0,0,0,0|1,0,0]=3 591 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,1,0,0,0,0|1,0,0]=3 592 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,1,0,0,0,0|0,0,0]=2 593 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [1,1,0,0,0,0|2,0,0]=4 594 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,1,0,0,0,0|1,0,0]=3 595 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,1,0,0,0,0|1,0,0]=3 596 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,1,0,0,0,0|2,0,0]=4 597 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,1,0,0,0,0|0,1,0]=3 598 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|1,0,0]=3 599 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|1,0,1]=4 600 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [1,1,0,0,0,0|2,0,0]=4 601 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|2,0,0]=4 602 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|2,0,0]=4 603 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|2,0,0]=4 604 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|2,0,0]=4 605 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|2,0,0]=4 606 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|2,0,0]=4 607 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|2,0,0]=4 608 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|2,0,0]=4 609 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [1,1,0,0,0,0|0,0,2]=4 610 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [1,1,0,0,0,0|2,0,0]=4 611 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|1,0,0]=3 612 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|1,0,0]=3 613 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|1,0,0]=3 614 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|1,0,0]=3 615 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|1,0,0]=3 616 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|0,0,0]=2 617 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 618 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|1,0,0]=3 619 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|1,0,0]=3 620 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|1,0,0]=3 621 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|1,0,0]=3 622 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|1,0,0]=3 623 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|1,0,0]=3 624 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|0,0,0]=2 625 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|1,0,0]=3 626 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|1,0,0]=3 627 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|1,0,0]=3 628 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|1,0,0]=3 629 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|1,0,0]=3 630 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|1,0,0]=3 631 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|0,0,0]=2 632 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [1,1,0,0,0,0|2,0,0]=4 633 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [1,1,0,0,0,0|2,0,0]=4 634 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [1,1,0,0,0,0|2,0,0]=4 635 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|1,0,0]=3 639 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|2,0,0]=4 640 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [1,1,0,0,0,0|2,0,0]=4 645 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [1,1,0,0,0,0|2,0,0]=4 648 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,1,0,0,0,1|0,0,0]=2 649 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,1,0,0,0,1|2,0,0]=4 650 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,1,0,0,0,1|2,0,0]=4 651 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,1,0,0,0,1|2,0,0]=4 652 B11R0.58 CCOC(=O)C(O)C(C)C(=O)C MCULE-5115774341 [0,2,0,0,0,0|2,0,0]=4 653 B11R0.66 C(O)(CO)C(O)C(O)C(=O)CO MCULE-6354527658 [0,2,0,0,0,0|0,0,2]=4 654 B11R0.66 CNC(=O)C(O)C(O)C(=O)NC MCULE-1125432473 [0,2,0,0,0,0|2,0,0]=4 655 B11R0.66 COC(=O)C(=C(O)C(=O)OC)O MCULE-8741439489 [0,2,0,0,0,0|0,0,2]=4 656 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC MCULE-9112666685 [0,2,0,0,0,0|2,0,0]=4 657 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-4357107230 [0,2,0,0,0,0|1,0,0]=3 658 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-5911741948 [0,2,0,0,0,0|1,0,0]=3 659 B11R0.66 COC(=O)C(O)C(O)C(=O)OC MCULE-4774009245 [0,2,0,0,0,0|0,0,0]=2 660 B11R0.66 COC(=O)[C@@H](Br)[C@H](Br)C(=O)OC MCULE-1130891891 [0,2,0,0,0,0|2,0,0]=4 661 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC MCULE-4143242485 [0,2,0,0,0,0|0,0,0]=2 662 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1262746656 [0,2,0,0,0,0|0,0,0]=2 663 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1511398364 [0,2,0,0,0,0|0,0,0]=2 664 B11R0.66 COC(=O)[C@H](Br)[C@@H](Br)C(=O)OC MCULE-8370711105 [0,2,0,0,0,0|2,0,0]=4 665 B11R0.66 COC(=O)[C@H](N)[C@@H](O)C(=O)OC MCULE-5855006134 [0,2,0,0,0,0|1,0,0]=3 666 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC MCULE-2007760128 [0,2,0,0,0,0|0,0,0]=2 667 B11R0.66 NNC(=O)C(O)C(O)C(=O)NN MCULE-4941398577 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.66 O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1989909261 [0,2,0,0,0,0|0,0,2]=4 669 B11R0.66 O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-7509021628 [0,2,0,0,0,0|0,0,2]=4 670 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-4490769482 [0,2,0,0,0,0|0,0,2]=4 671 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5732266214 [0,2,0,0,0,0|0,0,2]=4 672 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1320887865 [0,2,0,0,0,0|0,0,2]=4 673 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-5074435371 [0,2,0,0,0,0|0,0,2]=4 674 B11R0.66 O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-3318057738 [0,2,0,0,0,0|0,0,2]=4 675 B11R0.66 O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-9753938713 [0,2,0,0,0,0|0,0,2]=4 676 B11R0.66 O=C(CO)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-5787989620 [0,2,0,0,0,0|0,0,2]=4 677 B11R0.66 O=C(CO)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-8268497071 [0,2,0,0,0,0|0,0,2]=4 678 B11R0.66 O=C(CO)[C@H](O)[C@H](O)[C@@H](O)CO MCULE-9626535907 [0,2,0,0,0,0|0,0,2]=4 679 B11R0.66 O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO MCULE-3834383296 [0,2,0,0,0,0|0,0,2]=4 680 B11R0.66 O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO MCULE-6593238321 [0,2,0,0,0,0|0,0,2]=4 681 B11R0.66 [C@@H](O)(C(=O)CO)[C@H](O)[C@H](O)CO MCULE-2111370317 [0,2,0,0,0,0|0,0,2]=4 682 B11R0.66 [C@H](O)(C(=O)OC)[C@@H](O)C(=O)OC MCULE-8740293471 [0,2,0,0,0,0|0,0,0]=2 683 B11R0.66 [C@H](O)(CO)[C@H](O)[C@H](O)C(=O)CO MCULE-2516360227 [0,2,0,0,0,0|0,0,2]=4 684 B11R0.287 COC(=O)C(C)(C)C(C)C(=O)O MCULE-2989615852 [0,2,0,0,0,0|2,0,0]=4 685 B11R0.287 COC(=O)C(C)(C)C(N)C(=O)O MCULE-6701682609 [0,2,0,0,0,0|2,0,0]=4 686 B11R0.296 CCC(C(=O)O)C(CC)C(=O)O MCULE-7362604126 [0,2,0,0,0,0|2,0,0]=4 687 B11R0.198 CC(=O)C(C)(O)C(C)(O)C(=O)C MCULE-8593760706 [0,2,0,0,0,0|2,0,0]=4 688 B11R0.198 CC(C)(C(=O)O)C(C)(C)C(=O)O MCULE-9240600125 [0,2,0,0,0,0|2,0,0]=4 689 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O MCULE-5420702283 [0,2,0,0,0,0|0,0,0]=2 690 B11R0.198 O=C(O)C(F)(F)C(F)(Cl)C(=O)O MCULE-6484735801 [0,2,0,0,0,0|2,0,0]=4 691 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O MCULE-3120802573 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [1,0,0,1,0,0|1,0,1]=4 694 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [1,0,0,1,0,0|1,0,1]=4 695 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [1,0,0,1,0,0|2,0,0]=4 699 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|1,0,0]=3 703 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|1,1,0]=4 704 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [1,0,0,1,0,0|2,0,0]=4 705 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 707 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 708 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 709 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 710 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|2,0,0]=4 712 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|2,0,0]=4 715 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|1,0,0]=3 719 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|1,1,0]=4 720 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 722 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|2,0,0]=4 726 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|2,0,0]=4 727 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|2,0,0]=4 729 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|2,0,0]=4 730 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [1,0,0,1,0,0|2,0,0]=4 731 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|2,0,0]=4 732 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [1,0,0,1,0,0|1,0,1]=4 733 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [1,0,0,1,0,0|1,0,1]=4 734 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [1,0,0,1,0,0|1,0,1]=4 735 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [1,0,0,1,0,0|2,0,0]=4 737 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|1,0,0]=3 738 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|0,0,0]=2 739 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|1,0,0]=3 740 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|1,0,0]=3 741 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|1,0,0]=3 742 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|0,0,0]=2 743 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|0,0,0]=2 744 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|1,0,0]=3 745 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|1,0,0]=3 746 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|1,0,0]=3 747 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|0,0,0]=2 748 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [1,0,0,1,0,0|0,0,2]=4 749 B11R1.672 C[C@H](O)[C@H]1OC(=O)[C@H]([C@@H]1O)O MCULE-7572552589 [0,0,0,1,0,1|1,0,1]=4 750 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|2,0,0]=4 751 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|2,0,0]=4 752 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,0,1|2,0,0]=4 753 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,0,1|2,0,0]=4 754 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|2,0,0]=4 755 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|2,0,0]=4 756 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|2,0,0]=4 757 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,1,0]=4 758 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|2,0,0]=4 759 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,1|2,0,0]=4 760 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,1|2,0,0]=4 761 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|2,0,0]=4 762 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|2,0,0]=4 763 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|2,0,0]=4 764 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|2,0,0]=4 765 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|2,0,0]=4 766 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,1|2,0,0]=4 767 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,1|2,0,0]=4 768 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,0,0,1,0,1|2,0,0]=4 769 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,0,0,1,0,1|2,0,0]=4 770 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,0,0,1,0,1|2,0,0]=4 771 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|2,0,0]=4 779 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|2,0,0]=4 780 B11R1.870 [C@@H]1(CC[C@H]1C(=O)O)C(=O)OC MCULE-6773676736 [0,1,0,1,0,0|2,0,0]=4 781 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,1,0,1,0,0|2,0,0]=4 782 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,1,0,1,0,0|2,0,0]=4 783 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,1,0,1,0,0|2,0,0]=4 784 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,1,0,1,0,0|1,0,0]=3 785 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,1,0,1,0,0|2,0,0]=4 786 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,1,0,1,0,0|2,0,0]=4 787 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,1,0,1,0,0|2,0,0]=4 788 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,1,0,1,0,0|1,0,0]=3 789 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,1,0,1,0,0|1,0,0]=3 790 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,1,0,1,0,0|2,0,0]=4 791 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,1,0,1,0,0|1,0,0]=3 792 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,1,0,1,0,0|1,0,0]=3 793 B11R2.60 O=C1COC2C1OCC2=O MCULE-8388437896 [0,0,0,2,0,0|2,0,0]=4 794 B11R2.60 O=C1OCC2C1COC2=O MCULE-6930842195 [0,0,0,2,0,0|2,0,0]=4 795 B11R2.60 [C@H]12OCC(=O)[C@H]1OCC2=O MCULE-9283765891 [0,0,0,2,0,0|2,0,0]=4 796 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,0,1|1,0,1]=4 797 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|1,0,1]=4 798 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,0,0,0,0,1|2,0,0]=4 799 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|2,0,0]=4 800 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|2,0,0]=4 801 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|2,0,0]=4 802 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|2,0,0]=4 803 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|2,0,0]=4 804 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|2,0,0]=4 805 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|2,0,0]=4 806 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|2,0,0]=4 807 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|2,0,0]=4 808 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|2,0,0]=4 809 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|2,0,0]=4 810 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|2,0,0]=4 811 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|2,0,0]=4 812 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|2,0,0]=4 813 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|2,0,0]=4 814 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|2,0,0]=4 815 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|2,0,0]=4 816 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|2,0,0]=4 817 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|2,0,0]=4 818 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|1,0,0]=3 819 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|1,0,0]=3 820 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|2,0,0]=4 821 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|1,0,0]=3 822 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|1,0,0]=3 823 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|1,0,0]=3 824 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|1,0,0]=3 825 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|1,0,0]=3 826 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|1,0,0]=3 827 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|1,0,0]=3 828 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|1,0,0]=3 829 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,0,1|2,0,0]=4 830 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,0,1|2,0,0]=4 831 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,0,1|2,0,0]=4 832 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,0,1|2,0,0]=4 833 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,0,1|2,0,0]=4 834 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,0,1|2,0,0]=4 835 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,0,1|2,0,0]=4 836 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|2,0,0]=4 837 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|2,0,0]=4 838 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|2,0,0]=4 839 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,0,1|2,0,0]=4 840 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,0,1|2,0,0]=4 841 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,0,1|2,0,0]=4 842 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,0,1|2,0,0]=4 843 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,0,1|2,0,0]=4 844 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,0,1|2,0,0]=4 845 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,0,1|2,0,0]=4 846 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,0,1|2,0,0]=4 847 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,0,1|2,0,0]=4 848 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,0,1|1,0,0]=3 849 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,0,1|1,0,0]=3 850 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,0,1|1,0,0]=3 851 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,0,1|1,0,1]=4 852 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,0,1|1,0,0]=3 853 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,0,1|1,0,0]=3 854 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,0,1|1,0,0]=3 855 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,0,1|1,0,0]=3 856 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,0,1|1,0,0]=3 857 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,0,1|1,0,1]=4 858 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,0,1|1,0,1]=4 859 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,0,1|1,0,1]=4 860 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,0,1|1,0,0]=3 861 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,0,1|1,0,0]=3 862 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,0,0,0,0,1|0,0,2]=4 863 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,0,1|1,0,0]=3 864 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|0,0,0]=2 865 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|0,0,0]=2 866 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|0,0,0]=2 867 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,0,1|1,0,0]=3 868 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,0,1|1,0,0]=3 869 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,0,1|1,0,0]=3 870 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|0,0,0]=2 871 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,0,0,0,0,1|0,0,2]=4 872 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [1,0,0,0,0,1|0,0,2]=4 873 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [1,0,0,0,0,1|0,0,2]=4 874 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [1,0,0,0,0,1|0,0,2]=4 875 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [1,0,0,0,0,1|0,0,2]=4 876 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [1,0,0,0,0,1|0,0,2]=4 877 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [1,0,0,0,0,1|0,0,2]=4 878 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [1,0,0,0,0,1|0,0,2]=4 879 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|2,0,0]=4 880 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,0,1|2,0,0]=4 881 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,0,1|1,0,0]=3 882 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|0,0,0]=2 883 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,0,0,0,0,1|1,0,1]=4 884 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,0,0,0,0,1|1,0,1]=4 885 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|2,0,0]=4 886 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|1,0,0]=3 887 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|2,0,0]=4 888 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,0,0,0,0,1|2,0,0]=4 889 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,0,0,0,0,1|2,0,0]=4 890 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,1|1,0,0]=3 891 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,1|1,0,0]=3 892 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,0,0,0,0,1|2,0,0]=4 893 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,0,0,0,0,1|1,0,1]=4 894 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,0,0,0,0,1|0,0,2]=4 895 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|0,0,0]=2 896 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,0,0,0,0,1|1,0,1]=4 897 B11R0.149 CC(=O)NC(O)C(O)NC(=O)C MCULE-1240815550 [0,0,0,0,0,2|2,0,0]=4 898 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,0,0,0,0,2|2,0,0]=4 899 B11R0.150 CC(=O)C(O)CCC(O)C(=O)C MCULE-6415142077 [0,0,0,0,0,2|2,0,0]=4 900 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,0,0,0,0,2|2,0,0]=4 901 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,0,0,0,0,2|2,0,0]=4 902 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,0,0,0,0,2|2,0,0]=4 903 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,0,0,0,0,2|2,0,0]=4 904 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,0,0,0,0,2|2,0,0]=4 905 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,0,0,0,0,2|2,0,0]=4 906 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,0,0,0,0,2|2,0,0]=4 907 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,0,0,0,0,2|2,0,0]=4 908 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,0,0,0,0,2|2,0,0]=4 909 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,0,0,0,0,2|2,0,0]=4 910 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,0,0,0,0,2|0,0,0]=2