0 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=1 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|1,0,0]=1 8 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 12 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,0,0,0,0,0|2,0,1]=3 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|1,0,0]=1 25 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,0,0,0,0,0|1,0,0]=1 26 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,0,0,0,0,0|1,0,0]=1 30 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,0,0,0,0,0|0,0,0]=0 31 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,0,0,0,0,0|1,0,0]=1 33 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,0,0,0,0,0|0,0,0]=0 34 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,0,0,0,0,0|0,0,0]=0 35 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,0,0,0,0,0|1,0,2]=3 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|1,0,2]=3 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|1,0,0]=1 40 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,0,0,0,0,0|1,0,0]=1 41 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,0,0,0,0,0|1,0,0]=1 42 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,0,0,0,0,0|1,0,0]=1 43 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,0,0,0,0,0|1,0,0]=1 44 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,0,0,0,0,0|1,0,0]=1 45 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,0,0,0,0,0|1,0,0]=1 46 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,0,0,0,0,0|1,0,0]=1 47 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,0,0,0,0,0|1,0,0]=1 48 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,0,0,0,0,0|1,0,0]=1 49 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,0,0,0,0,0|1,0,0]=1 50 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,0,0,0,0,0|1,0,0]=1 51 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,0,0,0,0,0|1,0,0]=1 52 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,0,0,0,0,0|1,0,0]=1 53 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,0,0,0,0,0|1,0,0]=1 54 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,0,0,0,0,0|1,1,0]=2 55 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,0,0,0,0,0|1,0,0]=1 56 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,0,0,0,0,0|1,0,0]=1 57 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,0,0,0,0,0|1,0,0]=1 58 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,0,0,0,0,0|1,0,0]=1 59 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,0,0,0,0,0|1,0,0]=1 60 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,0,0,0,0,0|1,0,0]=1 61 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,0,0,0,0,0|1,0,0]=1 62 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,0,0,0,0,0|1,0,0]=1 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|1,0,0]=1 65 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,0,0,0,0,0|1,0,0]=1 66 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,0,0,0,0,0|1,0,0]=1 67 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,0,0,0,0,0|1,0,0]=1 68 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,0,0,0,0,0|1,0,0]=1 69 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,0,0,0,0,0|1,0,0]=1 70 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,0,0,0,0,0|1,1,0]=2 71 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,0,0,0,0,0|1,0,1]=2 72 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,0,0,0,0,0|1,0,1]=2 73 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,0,0,0,0,0|1,0,2]=3 74 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,0,0,0,0,0|1,0,1]=2 76 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,0,0,0,0,0|1,0,1]=2 77 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,0,0,0,0,0|1,0,1]=2 78 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,0,0,0,0,0|1,0,1]=2 79 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,0,0,0,0,0|1,0,2]=3 80 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,0,0,0,0,0|1,0,2]=3 81 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,0,0,0,0,0|1,0,2]=3 82 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,0,0,0,0,0|1,0,2]=3 83 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,0,0,0,0,0|1,0,0]=1 85 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,0,0,0,0,0|1,0,0]=1 86 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,0,0,0,0,0|1,0,1]=2 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|2,0,1]=4 89 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,0,0,0,0,0|1,0,1]=3 95 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,0,0,0,0,0|1,0,1]=3 96 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,0,0,0,0,0|1,0,1]=3 101 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,0,0,0,0,0|1,0,1]=3 102 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,0,0,0,0,0|1,0,1]=3 103 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,0,0,0,0,0|1,0,1]=3 104 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,0,0,0,0,0|1,0,1]=3 114 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,0,0,0,0,0|1,0,1]=3 115 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,0,0,0,0,0|1,0,1]=3 116 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,0,0,0,0,0|1,0,1]=3 117 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [1,0,0,0,0,0|3,0,0]=4 122 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,0,0,0,0,0|1,0,1]=3 133 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,0,0,0,0,0|1,0,1]=3 134 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,0,0,0,0,0|1,0,1]=3 135 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [1,0,0,0,0,0|1,0,2]=4 136 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [1,0,0,0,0,0|1,0,2]=4 137 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [1,0,0,0,0,0|1,0,2]=4 138 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|2,0,0]=3 152 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|1,0,1]=3 157 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|1,0,2]=4 160 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,0,0|1,0,0]=2 162 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|1,0,0]=2 164 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|1,0,0]=2 165 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,0,0]=3 166 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|1,0,0]=2 167 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [1,0,0,0,0,0|2,0,1]=4 202 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,0,0,0,0,0|2,0,1]=4 203 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [1,0,0,0,0,0|2,0,1]=4 204 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|1,0,0]=2 210 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|1,0,0]=2 211 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,0,0|1,0,1]=3 214 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,0,0|1,0,1]=3 215 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,0,0,0,0,0|3,0,0]=4 222 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|2,0,0]=3 226 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|1,0,0]=2 229 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|1,0,0]=2 230 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,0,0|1,0,1]=3 231 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,0,0|1,0,1]=3 232 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,0,0|1,0,1]=3 233 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,0,0|1,0,1]=3 235 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,0,0|1,0,1]=3 236 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|1,0,0]=2 237 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|1,0,0]=2 238 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,0,0,0,0,0|2,0,1]=4 239 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,0,0|1,0,1]=3 242 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|2,0,0]=3 243 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,0,0,0,0,0|1,0,0]=2 244 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|1,0,0]=2 246 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|1,0,0]=2 248 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|1,0,0]=2 249 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,0,0,0,0,0|2,0,0]=3 253 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|1,0,0]=2 254 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|1,0,0]=2 255 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,0,0,0,0,0|1,0,0]=2 257 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,0,0,0,0,0|1,0,0]=2 258 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,0,0,0,0,0|1,0,0]=2 259 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,0,0,0,0,0|1,0,0]=2 260 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,0,0,0,0,0|1,0,0]=2 261 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,0,0,0,0,0|1,0,0]=2 262 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|0,0,0]=1 263 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|0,0,0]=1 264 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,0,0,0,0,0|0,0,1]=2 265 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,0,0,0,0,0|0,0,1]=2 266 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|0,0,1]=2 267 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,0,0,0,0,0|0,0,2]=3 268 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,0,0,0,0,0|0,0,2]=3 269 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,0,0,0,0,0|2,0,1]=4 270 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|0,0,0]=1 272 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|0,0,0]=1 273 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,0,0,0,0,0|0,0,1]=2 274 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|0,0,1]=2 275 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,0,0,0,0,0|0,0,2]=3 276 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,0,0,0,0,0|0,0,2]=3 277 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,0,0,0,0,0|0,0,2]=3 278 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,0,0,0,0,0|0,0,2]=3 279 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,0,0,0,0,0|0,0,2]=3 280 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|1,0,0]=2 285 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|1,0,0]=2 286 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|0,0,0]=1 287 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|1,0,2]=4 290 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|1,0,2]=4 291 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|0,0,2]=3 293 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|1,0,0]=2 294 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|1,0,0]=2 295 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|1,0,0]=2 296 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|0,0,0]=1 297 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|0,0,0]=1 298 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|0,0,0]=1 299 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|0,1,0]=2 300 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|1,0,0]=2 301 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|1,0,0]=2 302 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|0,0,0]=1 303 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|0,0,0]=1 304 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|1,0,0]=2 305 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|1,0,0]=2 306 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|1,0,0]=2 307 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|0,0,0]=1 308 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|0,0,0]=1 309 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|0,0,1]=2 310 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|0,1,0]=2 311 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,0,0,0,0,0|2,0,0]=3 312 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|0,0,0]=1 313 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|2,0,0]=3 314 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,0,0,0,0,0|1,0,2]=4 315 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [1,0,0,0,0,0|0,0,3]=4 316 B10R0.56 CC(O)C(O)C(O)C(=O)CO MCULE-2886927565 [0,1,0,0,0,0|2,0,1]=4 317 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,1,0,0,0,0|1,0,0]=2 318 B10R0.56 COC(=O)N(C)C(C)C(=O)O MCULE-4638063780 [0,1,0,0,0,0|3,0,0]=4 319 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-1516990203 [0,1,0,0,0,0|3,0,0]=4 320 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-7050195142 [0,1,0,0,0,0|3,0,0]=4 321 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O MCULE-3862916687 [0,1,0,0,0,0|3,0,0]=4 322 B10R0.56 C[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)C=O MCULE-3568617765 [0,1,0,0,0,0|1,0,2]=4 323 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO MCULE-3348912936 [0,1,0,0,0,0|2,0,1]=4 324 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO MCULE-9304342847 [0,1,0,0,0,0|2,0,1]=4 325 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)C(=O)CO MCULE-4801729849 [0,1,0,0,0,0|2,0,1]=4 326 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,1,0,0,0,0|1,0,2]=4 327 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,1,0,0,0,0|1,0,2]=4 328 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,1,0,0,0,0|1,0,2]=4 329 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,1,0,0,0,0|1,0,2]=4 330 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,1,0,0,0,0|1,0,2]=4 331 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,1,0,0,0,0|1,0,2]=4 332 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,1,0,0,0,0|1,0,2]=4 333 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,1,0,0,0,0|1,0,2]=4 334 B10R0.117 CC(C)(C(N)C(=O)O)N(=O)=O MCULE-9002564501 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.117 CC(C)([C@H](N)C(=O)O)[N+](=O)[O-] MCULE-3869741264 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.117 O=C(O)C(F)C(F)(F)C(=O)O MCULE-7067726417 [0,1,0,0,0,0|2,0,0]=3 337 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O MCULE-9655540951 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.154 CC(C)(C)[C@@H](O)[C@H](N)C(=O)O MCULE-3285070258 [0,1,0,0,0,0|2,0,1]=4 339 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-1720433604 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-5518166439 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,0,0,1,0,0|2,0,0]=3 342 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,0,0,1,0,0|3,0,0]=4 343 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|2,0,0]=3 344 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|3,0,0]=4 345 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|2,0,0]=3 346 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|2,0,0]=3 347 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|2,0,0]=3 348 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|2,0,0]=3 349 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|2,0,0]=3 350 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|2,0,0]=3 351 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]=3 352 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,0,0,0,0,1|3,0,0]=4 353 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,0,0,0,0,1|2,0,0]=3 354 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,0,0,0,0,1|2,0,0]=3 355 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,0,0,0,0,1|2,0,0]=3 356 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,0,0,0,0,1|2,0,0]=3 357 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,0,0,0,0,1|2,0,0]=3 358 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,0,0,0,0,1|2,0,0]=3 359 B10R0.13 CC(C)CC(N)C(O)C(=O)O MCULE-9980432688 [0,0,0,0,0,1|2,0,1]=4 360 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-3791004089 [0,0,0,0,0,1|2,0,1]=4 361 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-4811723103 [0,0,0,0,0,1|2,0,1]=4 362 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-4375883872 [0,0,0,0,0,1|2,0,1]=4 363 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-9315705992 [0,0,0,0,0,1|2,0,1]=4 364 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,0,0,0,0,1|1,0,0]=2 365 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,0,0,0,0,1|1,0,0]=2 366 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,0,0,0,0,1|1,0,0]=2 367 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,0,0,0,0,1|1,0,0]=2 368 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,0,0,0,0,1|0,0,0]=1 369 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,0,0,0,0,1|1,0,0]=2 370 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,0,0,0,0,1|1,0,1]=3 371 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,0,0,0,0,1|1,0,1]=3 372 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,0,0,0,0,1|2,0,1]=4 373 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,0,0,0,0,1|2,0,0]=3 374 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,0,0,0,0,1|1,0,0]=2 375 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,0,0,0,0,1|2,0,0]=3 376 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,0,0,0,0,1|1,0,0]=2 377 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,0,0,0,0,1|1,0,0]=2 378 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,0,0,0,0,1|2,0,0]=3 379 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,0,0,0,0,1|2,0,0]=3 380 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,0,0,0,0,1|1,0,0]=2 381 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,0,0,0,0,1|1,0,0]=2 382 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,0,0,0,0,1|1,0,0]=2 383 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,0,0,0,0,1|0,0,0]=1 384 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,0,0,0,0,1|1,0,0]=2 385 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,0,0,0,0,1|1,0,0]=2 386 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,0,0,0,0,1|1,0,0]=2 387 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,0,0,0,0,1|0,0,0]=1 388 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,0,0,0,0,1|0,0,0]=1 389 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,0,0,0,0,1|1,0,0]=2 390 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,0,0,0,0,1|1,0,0]=2 391 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,0,0,0,0,1|1,0,0]=2 392 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,0,0,0,0,1|1,0,0]=2 393 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,0,0,0,0,1|1,0,0]=2 394 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,0,0,0,0,1|1,0,0]=2 395 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,0,0,0,0,1|1,0,0]=2 396 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,0,0,0,0,1|1,0,0]=2 397 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,0,0,0,0,1|0,0,0]=1 398 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,0,0,0,0,1|0,0,0]=1 399 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,0,0,0,0,1|1,0,0]=2 400 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,0,0,0,0,1|1,0,0]=2 401 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,0,0,0,0,1|1,0,0]=2 402 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,0,0,0,0,1|1,0,0]=2 403 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,0,0,0,0,1|0,0,0]=1 404 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,0,0,0,0,1|2,0,0]=3 405 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,0,0,0,0,1|1,0,0]=2 406 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|2,0,0]=4 408 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|1,0,0]=3 409 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|1,0,0]=3 410 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [2,0,0,0,0,0|1,0,1]=4 417 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [2,0,0,0,0,0|1,0,1]=4 418 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [2,0,0,0,0,0|1,0,1]=4 419 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [2,0,0,0,0,0|1,0,1]=4 421 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [2,0,0,0,0,0|1,0,1]=4 422 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [2,0,0,0,0,0|2,0,0]=4 423 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [2,0,0,0,0,0|1,0,1]=4 424 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|0,0,1]=3 425 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|0,0,1]=3 426 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|0,0,1]=3 427 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [2,0,0,0,0,0|1,0,1]=4 428 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [2,0,0,0,0,0|1,0,1]=4 429 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [2,0,0,0,0,0|1,0,1]=4 430 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [2,0,0,0,0,0|1,0,1]=4 431 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [2,0,0,0,0,0|1,0,1]=4 433 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [2,0,0,0,0,0|1,0,1]=4 438 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|0,0,1]=3 439 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|0,0,1]=3 440 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|0,0,1]=3 441 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|0,0,1]=3 442 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,0,1]=3 443 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,0,1]=3 444 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [2,0,0,0,0,0|0,0,2]=4 445 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [2,0,0,0,0,0|0,0,2]=4 446 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [2,0,0,0,0,0|1,0,0]=3 447 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [2,0,0,0,0,0|1,0,1]=4 448 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [2,0,0,0,0,0|1,0,1]=4 449 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [2,0,0,0,0,0|1,0,1]=4 450 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [2,0,0,0,0,0|1,0,1]=4 451 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [2,0,0,0,0,0|1,0,1]=4 452 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [2,0,0,0,0,0|1,0,1]=4 453 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [2,0,0,0,0,0|1,0,1]=4 454 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [2,0,0,0,0,0|1,0,1]=4 455 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [2,0,0,0,0,0|1,0,1]=4 456 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [2,0,0,0,0,0|1,0,1]=4 457 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [2,0,0,0,0,0|1,0,1]=4 458 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [2,0,0,0,0,0|1,0,1]=4 459 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [2,0,0,0,0,0|1,0,1]=4 460 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|2,0,0]=4 461 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|1,0,0]=3 462 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|1,0,0]=3 463 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|1,0,0]=3 464 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|1,0,0]=3 465 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|1,0,0]=3 466 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|1,0,0]=3 467 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|1,0,0]=3 468 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|1,0,0]=3 469 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|1,0,0]=3 470 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|1,0,0]=3 471 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|1,0,0]=3 472 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|1,0,0]=3 473 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|1,0,0]=3 474 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|1,0,0]=3 475 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|1,0,0]=3 476 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,1]=4 477 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|2,0,0]=4 478 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [2,0,0,0,0,0|1,0,1]=4 479 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|1,0,1]=4 480 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|1,0,1]=4 481 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|1,0,1]=4 482 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,1]=4 483 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,1]=4 484 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|1,0,1]=4 485 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|1,0,1]=4 486 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,1]=4 487 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|1,0,1]=4 488 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|1,0,1]=4 489 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|1,0,1]=4 490 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,1]=4 491 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,1]=4 492 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|2,0,0]=4 493 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|2,0,0]=4 494 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|2,0,0]=4 495 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|2,0,0]=4 496 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|2,0,0]=4 497 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|2,0,0]=4 498 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|2,0,0]=4 499 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|2,0,0]=4 500 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|2,0,0]=4 501 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|2,0,0]=4 502 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [2,0,0,0,0,0|2,0,0]=4 503 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|2,0,0]=4 504 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|2,0,0]=4 505 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|2,0,0]=4 506 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|2,0,0]=4 507 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|2,0,0]=4 508 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|2,0,0]=4 509 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|2,0,0]=4 510 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|2,0,0]=4 511 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|2,0,0]=4 512 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|2,0,0]=4 513 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|2,0,0]=4 514 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|2,0,0]=4 515 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|2,0,0]=4 516 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|2,0,0]=4 517 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|2,0,0]=4 518 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|2,0,0]=4 519 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|2,0,0]=4 520 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|2,0,0]=4 521 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|2,0,0]=4 522 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [2,0,0,0,0,0|1,0,1]=4 523 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [2,0,0,0,0,0|1,0,1]=4 524 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [2,0,0,0,0,0|1,0,1]=4 525 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|1,0,1]=4 526 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|1,0,1]=4 527 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|1,0,1]=4 528 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|1,0,1]=4 529 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|0,0,1]=3 530 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|0,0,1]=3 531 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|0,1,1]=4 532 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|0,1,1]=4 533 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|1,0,0]=3 534 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|1,0,1]=4 535 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|1,0,1]=4 536 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|1,0,1]=4 537 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|1,0,1]=4 538 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|1,0,1]=4 539 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|1,0,1]=4 540 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|1,0,1]=4 541 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|1,0,1]=4 542 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|1,0,1]=4 543 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|1,0,1]=4 544 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|1,0,1]=4 545 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|1,0,1]=4 546 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|1,0,1]=4 547 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|1,0,1]=4 548 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|1,0,1]=4 549 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|1,0,1]=4 550 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|1,0,1]=4 553 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|1,0,1]=4 556 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|1,0,1]=4 557 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|1,0,1]=4 558 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|1,0,1]=4 559 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [2,0,0,0,0,0|2,0,0]=4 560 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|1,0,1]=4 561 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|1,0,1]=4 562 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|1,0,1]=4 563 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|1,0,1]=4 564 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|0,0,1]=3 565 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|0,0,1]=3 566 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|0,1,1]=4 567 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|0,1,1]=4 568 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [2,0,0,0,0,0|1,1,0]=4 569 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|1,0,1]=4 570 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|1,0,1]=4 571 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|0,0,1]=3 572 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|0,0,1]=3 573 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|0,1,1]=4 574 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|0,1,1]=4 575 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|0,0,1]=3 576 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [2,0,0,0,0,0|1,0,1]=4 577 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [2,0,0,0,0,0|1,0,0]=3 578 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [2,0,0,0,0,0|1,0,1]=4 579 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [2,0,0,0,0,0|1,0,1]=4 580 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [2,0,0,0,0,0|1,0,1]=4 581 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [2,0,0,0,0,0|1,0,1]=4 582 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [2,0,0,0,0,0|1,0,1]=4 583 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [2,0,0,0,0,0|1,0,1]=4 584 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [2,0,0,0,0,0|1,0,1]=4 585 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [2,0,0,0,0,0|1,0,1]=4 586 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [2,0,0,0,0,0|1,0,1]=4 587 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [2,0,0,0,0,0|1,0,1]=4 588 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [2,0,0,0,0,0|1,0,1]=4 589 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [2,0,0,0,0,0|1,0,1]=4 590 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [2,0,0,0,0,0|1,0,1]=4 592 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [2,0,0,0,0,0|1,0,1]=4 593 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [2,0,0,0,0,0|1,0,1]=4 594 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [2,0,0,0,0,0|1,0,1]=4 595 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [2,0,0,0,0,0|1,0,1]=4 596 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [2,0,0,0,0,0|1,0,1]=4 597 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [2,0,0,0,0,0|1,0,1]=4 598 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [2,0,0,0,0,0|1,0,1]=4 599 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [2,0,0,0,0,0|1,0,1]=4 600 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [2,0,0,0,0,0|1,0,1]=4 601 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [2,0,0,0,0,0|1,0,1]=4 602 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [2,0,0,0,0,0|1,0,1]=4 603 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [2,0,0,0,0,0|1,0,1]=4 604 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [2,0,0,0,0,0|1,0,1]=4 605 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [2,0,0,0,0,0|1,0,1]=4 606 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [2,0,0,0,0,0|1,0,1]=4 607 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [2,0,0,0,0,0|1,0,1]=4 608 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [2,0,0,0,0,0|1,0,1]=4 609 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [2,0,0,0,0,0|1,0,1]=4 610 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [2,0,0,0,0,0|0,0,1]=3 611 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [2,0,0,0,0,0|0,0,1]=3 612 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [2,0,0,0,0,0|1,0,1]=4 613 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [2,0,0,0,0,0|1,0,1]=4 614 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [2,0,0,0,0,0|1,0,1]=4 615 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [2,0,0,0,0,0|0,0,1]=3 616 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [2,0,0,0,0,0|0,0,1]=3 617 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [2,0,0,0,0,0|1,0,1]=4 618 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [2,0,0,0,0,0|0,0,1]=3 619 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [2,0,0,0,0,0|0,0,1]=3 620 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [2,0,0,0,0,0|0,0,1]=3 621 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [2,0,0,0,0,0|0,0,1]=3 622 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [2,0,0,0,0,0|1,0,1]=4 623 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [2,0,0,0,0,0|1,0,1]=4 624 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [2,0,0,0,0,0|1,0,1]=4 625 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [2,0,0,0,0,0|1,0,1]=4 626 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [2,0,0,0,0,0|1,0,1]=4 627 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [2,0,0,0,0,0|1,0,1]=4 628 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [2,0,0,0,0,0|0,0,1]=3 629 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [2,0,0,0,0,0|0,0,1]=3 630 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [2,0,0,0,0,0|0,0,1]=3 631 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [2,0,0,0,0,0|0,0,1]=3 632 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [2,0,0,0,0,0|0,0,1]=3 633 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [2,0,0,0,0,0|1,0,0]=3 634 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [2,0,0,0,0,0|1,0,1]=4 635 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [2,0,0,0,0,0|1,0,1]=4 636 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [2,0,0,0,0,0|1,0,1]=4 637 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [2,0,0,0,0,0|1,0,1]=4 638 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [2,0,0,0,0,0|0,0,1]=3 639 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [2,0,0,0,0,0|0,0,1]=3 640 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [2,0,0,0,0,0|1,0,1]=4 641 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [2,0,0,0,0,0|0,0,1]=3 642 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [2,0,0,0,0,0|0,0,1]=3 643 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [2,0,0,0,0,0|0,0,1]=3 644 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [2,0,0,0,0,0|0,0,1]=3 645 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [2,0,0,0,0,0|0,0,1]=3 646 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [2,0,0,0,0,0|0,0,1]=3 647 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [2,0,0,0,0,0|0,0,1]=3 648 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [2,0,0,0,0,0|1,0,1]=4 649 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [2,0,0,0,0,0|1,0,1]=4 650 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [2,0,0,0,0,0|1,0,1]=4 651 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [2,0,0,0,0,0|2,0,0]=4 652 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|2,0,0]=4 653 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 654 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|2,0,0]=4 655 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 656 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 658 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 659 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|2,0,0]=4 660 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 663 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|2,0,0]=4 665 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|1,0,0]=3 666 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 668 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [2,0,0,0,0,0|2,0,0]=4 669 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|0,0,2]=4 670 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|0,0,2]=4 671 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|0,0,2]=4 672 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [2,0,0,0,0,0|0,0,2]=4 673 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|0,0,2]=4 674 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|0,0,2]=4 675 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|0,0,2]=4 676 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|0,0,2]=4 677 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|0,0,2]=4 678 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 679 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|0,0,0]=2 680 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|0,0,0]=2 681 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,1]=4 682 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [2,0,0,0,0,0|2,0,0]=4 683 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|0,0,1]=3 684 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [2,0,0,0,0,0|0,0,2]=4 685 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,1]=4 686 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [1,1,0,0,0,0|1,0,1]=4 687 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [1,1,0,0,0,0|1,0,1]=4 688 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [1,1,0,0,0,0|1,0,1]=4 689 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-2681463079 [1,1,0,0,0,0|1,0,1]=4 690 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-3703407559 [1,1,0,0,0,0|1,0,1]=4 691 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [1,1,0,0,0,0|1,0,1]=4 692 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [1,1,0,0,0,0|1,0,1]=4 693 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [1,1,0,0,0,0|1,0,1]=4 694 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [1,1,0,0,0,0|1,0,1]=4 695 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [1,1,0,0,0,0|1,0,1]=4 696 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [1,1,0,0,0,0|1,0,1]=4 697 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [1,1,0,0,0,0|1,0,1]=4 698 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [1,1,0,0,0,0|1,0,1]=4 699 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [1,1,0,0,0,0|1,0,1]=4 700 B9R0.32 C=CC(C)(C)C(N)C(=O)O MCULE-2556027740 [1,1,0,0,0,0|2,0,0]=4 701 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [1,1,0,0,0,0|1,0,1]=4 702 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [1,1,0,0,0,0|1,0,1]=4 703 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [1,1,0,0,0,0|2,0,0]=4 706 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|1,0,0]=3 708 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|0,0,0]=2 709 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|0,0,0]=2 710 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|0,0,0]=2 711 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|0,0,0]=2 712 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|0,0,0]=2 713 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|1,0,0]=3 714 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|1,0,0]=3 715 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|0,0,0]=2 716 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|0,0,0]=2 717 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [1,1,0,0,0,0|1,0,0]=3 718 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|0,1,0]=3 719 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|0,0,0]=2 720 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|1,0,1]=4 722 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|2,0,0]=4 723 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|1,0,0]=3 724 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [1,1,0,0,0,0|1,0,0]=3 725 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [1,1,0,0,0,0|1,0,0]=3 726 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|0,0,0]=2 727 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [1,1,0,0,0,0|2,0,0]=4 728 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|1,0,0]=3 729 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [1,1,0,0,0,0|1,0,0]=3 730 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [1,1,0,0,0,0|1,0,0]=3 731 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [1,1,0,0,0,0|1,0,0]=3 732 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [1,1,0,0,0,0|1,0,0]=3 733 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|0,0,0]=2 734 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|0,0,0]=2 735 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|0,0,0]=2 736 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|0,0,0]=2 737 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [1,1,0,0,0,0|1,0,0]=3 738 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [1,1,0,0,0,0|1,0,0]=3 739 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [1,1,0,0,0,0|1,0,0]=3 740 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [1,1,0,0,0,0|1,0,0]=3 741 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|0,0,0]=2 742 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|0,0,0]=2 743 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|0,0,0]=2 744 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|0,0,0]=2 745 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|0,0,0]=2 746 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|0,0,2]=4 748 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|0,0,2]=4 749 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|0,0,0]=2 750 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [1,1,0,0,0,0|2,0,0]=4 753 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [1,1,0,0,0,0|2,0,0]=4 754 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|1,0,0]=3 756 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,1,0,0,0,0|0,0,0]=2 757 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,1,0,0,0,0|1,0,0]=3 758 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,1,0,0,0,0|0,0,0]=2 759 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,1,0,0,0,0|0,0,0]=2 760 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,1,0,0,0,0|0,0,0]=2 761 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,1,0,0,0,0|1,0,0]=3 762 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,1,0,0,0,0|0,0,0]=2 763 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,1,0,0,0,0|0,0,0]=2 764 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,1,0,0,0,0|0,0,0]=2 765 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,1,0,0,0,0|0,0,0]=2 766 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,1,0,0,0,0|0,0,0]=2 768 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,1,0,0,0,0|0,0,0]=2 769 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,1,0,0,0,0|1,0,0]=3 770 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,1,0,0,0,0|0,1,0]=3 771 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|0,0,0]=2 772 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|1,0,1]=4 773 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [1,1,0,0,0,0|1,0,1]=4 775 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|1,0,0]=3 776 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|1,0,0]=3 777 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|1,0,0]=3 778 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|1,0,0]=3 779 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|1,0,0]=3 780 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|1,0,0]=3 781 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|1,0,0]=3 782 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|1,0,0]=3 783 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [1,1,0,0,0,0|0,0,2]=4 784 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [1,1,0,0,0,0|2,0,0]=4 785 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|1,0,0]=3 786 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|1,0,0]=3 787 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|0,0,0]=2 788 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|0,0,0]=2 789 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|0,0,0]=2 790 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|0,0,0]=2 791 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 792 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|1,0,0]=3 793 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|1,0,0]=3 794 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|0,0,0]=2 795 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|0,0,0]=2 796 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|0,0,0]=2 797 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|0,0,0]=2 798 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|0,0,0]=2 799 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|1,0,0]=3 800 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|1,0,0]=3 801 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|0,0,0]=2 802 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|0,0,0]=2 803 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|0,0,0]=2 804 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|0,0,0]=2 805 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|0,0,0]=2 806 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [1,1,0,0,0,0|2,0,0]=4 809 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|1,0,0]=3 810 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|1,0,0]=3 811 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|1,0,0]=3 812 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|0,0,0]=2 813 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|1,0,0]=3 814 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|1,0,0]=3 815 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [1,1,0,0,0,0|1,0,1]=4 816 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [1,1,0,0,0,0|1,0,1]=4 817 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [1,1,0,0,0,0|1,0,0]=3 819 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [1,1,0,0,0,0|1,0,0]=3 820 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [1,1,0,0,0,0|1,0,0]=3 821 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [1,1,0,0,0,0|1,0,0]=3 822 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [1,1,0,0,0,0|1,0,0]=3 823 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [1,1,0,0,0,0|2,0,0]=4 824 B11R0.92 C[C@@H](OC(=O)CN)[C@H](N)C(=O)O MCULE-2577436454 [0,1,0,0,0,1|2,0,0]=4 825 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,1,0,0,0,1|1,0,0]=3 826 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O MCULE-3979704333 [0,1,0,0,0,1|2,0,0]=4 827 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-3663360571 [0,1,0,0,0,1|2,0,0]=4 828 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-4499625523 [0,1,0,0,0,1|2,0,0]=4 829 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,1,0,0,0,1|1,0,0]=3 830 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,1,0,0,0,1|1,0,0]=3 831 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,1,0,0,0,1|1,0,0]=3 832 B11R0.58 CCOC(=O)C(O)C(C)C(=O)C MCULE-5115774341 [0,2,0,0,0,0|2,0,0]=4 833 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC MCULE-9112666685 [0,2,0,0,0,0|2,0,0]=4 834 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-4357107230 [0,2,0,0,0,0|0,0,0]=2 835 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-5911741948 [0,2,0,0,0,0|0,0,0]=2 836 B11R0.66 COC(=O)C(O)C(O)C(=O)OC MCULE-4774009245 [0,2,0,0,0,0|1,0,0]=3 837 B11R0.66 COC(=O)[C@@H](Br)[C@H](Br)C(=O)OC MCULE-1130891891 [0,2,0,0,0,0|2,0,0]=4 838 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC MCULE-4143242485 [0,2,0,0,0,0|1,0,0]=3 839 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1262746656 [0,2,0,0,0,0|1,0,0]=3 840 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1511398364 [0,2,0,0,0,0|1,0,0]=3 841 B11R0.66 COC(=O)[C@H](Br)[C@@H](Br)C(=O)OC MCULE-8370711105 [0,2,0,0,0,0|2,0,0]=4 842 B11R0.66 COC(=O)[C@H](N)[C@@H](O)C(=O)OC MCULE-5855006134 [0,2,0,0,0,0|0,0,0]=2 843 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC MCULE-2007760128 [0,2,0,0,0,0|1,0,0]=3 844 B11R0.66 [C@H](O)(C(=O)OC)[C@@H](O)C(=O)OC MCULE-8740293471 [0,2,0,0,0,0|1,0,0]=3 845 B11R0.287 COC(=O)C(C)(C)C(C)C(=O)O MCULE-2989615852 [0,2,0,0,0,0|2,0,0]=4 846 B11R0.287 COC(=O)C(C)(C)C(N)C(=O)O MCULE-6701682609 [0,2,0,0,0,0|1,0,0]=3 847 B11R0.296 CCC(C(=O)O)C(CC)C(=O)O MCULE-7362604126 [0,2,0,0,0,0|2,0,0]=4 848 B11R0.198 CC(C)(C(=O)O)C(C)(C)C(=O)O MCULE-9240600125 [0,2,0,0,0,0|2,0,0]=4 849 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O MCULE-5420702283 [0,2,0,0,0,0|1,0,0]=3 850 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]=4 851 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]=4 852 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [1,0,0,1,0,0|2,0,0]=4 853 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [1,0,0,1,0,0|2,0,0]=4 854 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [1,0,0,1,0,0|2,0,0]=4 856 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [1,0,0,1,0,0|1,0,1]=4 857 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [1,0,0,1,0,0|1,0,1]=4 858 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [1,0,0,1,0,0|1,0,1]=4 859 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [1,0,0,1,0,0|1,0,1]=4 860 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [1,0,0,1,0,0|1,0,1]=4 861 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [1,0,0,1,0,0|1,0,1]=4 862 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [1,0,0,1,0,0|1,0,1]=4 863 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [1,0,0,1,0,0|1,0,1]=4 864 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,1]=4 865 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,1]=4 866 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,1]=4 867 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,1]=4 868 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,1]=4 869 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,1]=4 870 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,1]=4 871 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,1]=4 872 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,1]=4 873 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,1]=4 874 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,1]=4 875 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,1]=4 876 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,1]=4 877 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,1]=4 878 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,1]=4 879 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,1]=4 880 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,1]=4 881 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,1]=4 882 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,1]=4 883 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,1]=4 884 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,1]=4 885 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,1]=4 886 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,1]=4 887 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,1]=4 888 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [1,0,0,1,0,0|2,0,0]=4 889 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [1,0,0,1,0,0|2,0,0]=4 890 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [1,0,0,1,0,0|1,0,1]=4 891 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [1,0,0,1,0,0|1,0,1]=4 892 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [1,0,0,1,0,0|1,0,1]=4 893 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [1,0,0,1,0,0|1,0,1]=4 894 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [1,0,0,1,0,0|1,0,1]=4 895 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [1,0,0,1,0,0|1,0,1]=4 896 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [1,0,0,1,0,0|1,0,1]=4 897 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [1,0,0,1,0,0|1,0,1]=4 898 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [1,0,0,1,0,0|1,0,1]=4 899 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [1,0,0,1,0,0|1,0,1]=4 900 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 901 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,1,0,0|2,0,0]=4 902 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [1,0,0,1,0,0|2,0,0]=4 903 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [1,0,0,1,0,0|2,0,0]=4 904 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [1,0,0,1,0,0|2,0,0]=4 905 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [1,0,0,1,0,0|1,0,1]=4 906 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [1,0,0,1,0,0|1,0,1]=4 907 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [1,0,0,1,0,0|1,0,1]=4 908 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [1,0,0,1,0,0|1,0,1]=4 909 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [1,0,0,1,0,0|1,0,1]=4 910 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [1,0,0,1,0,0|1,0,1]=4 911 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [1,0,0,1,0,0|1,0,1]=4 912 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [1,0,0,1,0,0|1,0,1]=4 913 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [1,0,0,1,0,0|1,0,1]=4 914 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [1,0,0,1,0,0|1,0,1]=4 915 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [1,0,0,1,0,0|1,0,1]=4 916 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [1,0,0,1,0,0|1,0,1]=4 917 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [1,0,0,1,0,0|1,0,1]=4 918 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [1,0,0,1,0,0|1,0,1]=4 919 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [1,0,0,1,0,0|1,0,1]=4 920 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [1,0,0,1,0,0|1,0,1]=4 921 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [1,0,0,1,0,0|1,0,1]=4 922 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [1,0,0,1,0,0|1,0,1]=4 923 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [1,0,0,1,0,0|1,0,1]=4 924 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [1,0,0,1,0,0|1,0,1]=4 925 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [1,0,0,1,0,0|1,0,1]=4 926 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 927 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|1,0,0]=3 928 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|1,1,0]=4 929 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [1,0,0,1,0,0|1,0,0]=3 930 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 931 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 932 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 933 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 934 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 935 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|1,0,0]=3 936 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|1,0,0]=3 937 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|1,0,0]=3 938 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|1,0,0]=3 939 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|1,0,0]=3 940 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|1,0,0]=3 941 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|1,0,0]=3 942 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|1,0,0]=3 943 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|1,0,0]=3 944 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|1,1,0]=4 945 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 946 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 947 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 948 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 949 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|2,0,0]=4 950 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|2,0,0]=4 951 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|2,0,0]=4 952 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|2,0,0]=4 953 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|2,0,0]=4 954 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|2,0,0]=4 955 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [1,0,0,1,0,0|1,0,1]=4 956 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [1,0,0,1,0,0|1,0,1]=4 957 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [1,0,0,1,0,0|2,0,0]=4 958 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|2,0,0]=4 959 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [1,0,0,1,0,0|1,0,1]=4 960 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [1,0,0,1,0,0|1,0,1]=4 961 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [1,0,0,1,0,0|1,0,1]=4 962 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [1,0,0,1,0,0|1,0,1]=4 963 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [1,0,0,1,0,0|1,0,1]=4 964 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [1,0,0,1,0,0|1,0,1]=4 965 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|2,0,0]=4 966 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [1,0,0,1,0,0|2,0,0]=4 967 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|1,0,0]=3 968 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|0,0,0]=2 969 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|1,0,0]=3 970 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|1,0,0]=3 971 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|1,0,0]=3 972 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|0,0,0]=2 973 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|0,0,0]=2 974 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|1,0,0]=3 975 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|1,0,0]=3 976 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|1,0,0]=3 977 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|0,0,0]=2 978 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [1,0,0,1,0,0|0,0,2]=4 979 B11R1.314 NC(C(=O)O)C1=CC(=O)NO1 MCULE-5209210148 [0,0,0,1,0,1|1,0,1]=4 980 B11R1.314 NC(C(=O)O)C1CC(=NO1)Cl MCULE-6867984598 [0,0,0,1,0,1|2,0,0]=4 981 B11R1.314 N[C@H](C(=O)O)C1=CC(=O)NO1 MCULE-5753702701 [0,0,0,1,0,1|1,0,1]=4 982 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8014869234 [0,0,0,1,0,1|2,0,0]=4 983 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8912888459 [0,0,0,1,0,1|2,0,0]=4 984 B11R1.314 [C@H]1(CC(=NO1)Cl)[C@H](N)C(=O)O MCULE-3772225791 [0,0,0,1,0,1|2,0,0]=4 985 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|1,0,0]=3 986 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|1,0,0]=3 987 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|1,0,0]=3 988 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|1,0,0]=3 989 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|2,0,0]=4 990 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|2,0,0]=4 991 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|1,0,0]=3 992 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,1,0]=4 993 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]=4 994 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]=4 995 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]=4 996 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|1,0,0]=3 997 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|1,0,0]=3 998 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|1,0,0]=3 999 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|1,0,0]=3 1000 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|1,0,0]=3 1001 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 1002 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 1003 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,0,0,1,0,1|1,0,0]=3 1004 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,0,0,1,0,1|1,0,0]=3 1005 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,0,0,1,0,1|1,0,0]=3 1006 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|2,0,0]=4 1008 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|2,0,0]=4 1009 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|2,0,0]=4 1010 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|2,0,0]=4 1011 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|2,0,0]=4 1012 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|2,0,0]=4 1013 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|2,0,0]=4 1014 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|2,0,0]=4 1015 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 1016 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,1,0,1,0,0|2,0,0]=4 1017 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,1,0,1,0,0|1,0,0]=3 1018 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,1,0,1,0,0|1,0,0]=3 1019 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,1,0,1,0,0|1,0,0]=3 1020 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 1021 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 1022 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,1,0,1,0,0|1,0,0]=3 1023 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 1024 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 1025 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 1026 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 1027 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 1028 B11R2.60 O=C1OCC2C1COC2=O MCULE-6930842195 [0,0,0,2,0,0|2,0,0]=4 1029 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,0,1|0,0,1]=3 1030 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|1,0,1]=4 1031 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [1,0,0,0,0,1|2,0,0]=4 1032 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [1,0,0,0,0,1|2,0,0]=4 1033 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [1,0,0,0,0,1|2,0,0]=4 1034 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,0,0,0,0,1|2,0,0]=4 1035 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|1,0,0]=3 1036 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|1,0,0]=3 1037 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|1,0,0]=3 1038 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|1,0,0]=3 1039 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|1,0,0]=3 1040 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|1,0,0]=3 1041 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|1,0,0]=3 1042 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|1,0,0]=3 1043 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|1,0,0]=3 1044 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|1,0,0]=3 1045 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|1,0,0]=3 1046 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|1,0,0]=3 1047 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|2,0,0]=4 1048 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|1,0,0]=3 1049 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|1,0,0]=3 1050 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|2,0,0]=4 1051 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|2,0,0]=4 1052 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|1,0,0]=3 1053 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|1,0,0]=3 1054 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|1,0,0]=3 1055 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|1,0,0]=3 1056 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|2,0,0]=4 1057 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|1,0,0]=3 1058 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|1,0,0]=3 1059 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|1,0,0]=3 1060 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,0,0,0,0,1|2,0,0]=4 1061 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,0,0,0,0,1|2,0,0]=4 1062 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,0,0,0,0,1|2,0,0]=4 1063 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,0,0,0,0,1|2,0,0]=4 1064 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,0,0,0,0,1|2,0,0]=4 1065 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,0,0,0,0,1|2,0,0]=4 1066 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|1,0,0]=3 1067 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|1,0,0]=3 1068 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|1,0,0]=3 1069 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|1,0,0]=3 1070 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|1,0,0]=3 1071 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [1,0,0,0,0,1|2,0,0]=4 1072 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [1,0,0,0,0,1|2,0,0]=4 1073 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [1,0,0,0,0,1|2,0,0]=4 1074 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [1,0,0,0,0,1|2,0,0]=4 1075 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [1,0,0,0,0,1|2,0,0]=4 1076 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [1,0,0,0,0,1|2,0,0]=4 1077 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [1,0,0,0,0,1|2,0,0]=4 1078 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [1,0,0,0,0,1|2,0,0]=4 1079 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,0,1|1,0,0]=3 1080 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,0,1|1,0,0]=3 1081 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,0,1|1,0,0]=3 1082 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [1,0,0,0,0,1|2,0,0]=4 1083 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [1,0,0,0,0,1|2,0,0]=4 1084 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [1,0,0,0,0,1|2,0,0]=4 1085 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [1,0,0,0,0,1|2,0,0]=4 1086 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,0,1|1,0,0]=3 1087 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,0,1|1,0,0]=3 1088 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [1,0,0,0,0,1|2,0,0]=4 1089 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [1,0,0,0,0,1|2,0,0]=4 1090 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [1,0,0,0,0,1|2,0,0]=4 1091 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [1,0,0,0,0,1|2,0,0]=4 1092 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,0,1|1,0,0]=3 1093 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,0,1|1,0,0]=3 1094 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|1,0,0]=3 1095 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|1,0,0]=3 1096 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|1,0,0]=3 1097 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,0,1|1,0,0]=3 1098 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,0,1|1,0,0]=3 1099 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,0,1|1,0,0]=3 1100 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,0,1|1,0,0]=3 1101 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,0,1|1,0,0]=3 1102 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,0,1|1,0,0]=3 1103 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,0,1|1,0,0]=3 1104 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,0,1|1,0,0]=3 1105 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,0,1|1,0,0]=3 1106 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,0,1|0,0,0]=2 1107 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,0,1|0,0,0]=2 1108 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,0,1|0,0,0]=2 1109 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,0,1|0,0,1]=3 1110 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,0,1|0,0,0]=2 1111 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,0,1|0,0,0]=2 1112 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,0,1|0,0,0]=2 1113 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,0,1|0,0,0]=2 1114 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,0,1|0,0,0]=2 1115 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,0,1|0,0,1]=3 1116 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [1,0,0,0,0,1|0,0,2]=4 1117 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,0,1|0,0,1]=3 1118 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,0,1|0,0,1]=3 1119 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,0,1|0,0,0]=2 1120 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,0,1|0,0,0]=2 1121 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,0,0,0,0,1|0,0,2]=4 1122 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,0,1|1,0,0]=3 1123 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|0,0,0]=2 1124 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|0,0,0]=2 1125 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|0,0,0]=2 1126 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,0,1|1,0,0]=3 1127 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,0,1|1,0,0]=3 1128 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,0,1|1,0,0]=3 1129 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|0,0,0]=2 1130 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,0,0,0,0,1|0,0,2]=4 1131 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [1,0,0,0,0,1|0,0,2]=4 1132 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [1,0,0,0,0,1|0,0,2]=4 1133 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [1,0,0,0,0,1|0,0,2]=4 1134 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [1,0,0,0,0,1|0,0,2]=4 1135 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [1,0,0,0,0,1|0,0,2]=4 1136 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [1,0,0,0,0,1|0,0,2]=4 1137 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [1,0,0,0,0,1|0,0,2]=4 1138 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|1,0,0]=3 1139 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,0,1|1,0,0]=3 1140 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,0,1|0,0,0]=2 1141 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,0,0,0,0,1|2,0,0]=4 1142 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|0,0,0]=2 1143 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,0,0,0,0,1|1,0,1]=4 1144 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,0,0,0,0,1|1,0,1]=4 1145 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|2,0,0]=4 1146 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|1,0,0]=3 1147 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|2,0,0]=4 1148 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,0,0,0,0,1|2,0,0]=4 1149 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,0,0,0,0,1|2,0,0]=4 1150 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,1|0,0,0]=2 1151 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,1|0,0,0]=2 1152 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,0,0,0,0,1|1,0,0]=3 1153 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,0,0,0,0,1|1,0,1]=4 1154 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,0,0,0,0,1|0,0,2]=4 1155 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|0,0,0]=2 1156 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,0,0,0,0,1|1,0,1]=4 1157 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,0,0,0,0,2|1,0,0]=3 1158 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,0,0,0,0,2|2,0,0]=4 1159 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,0,0,0,0,2|2,0,0]=4 1160 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,0,0,0,0,2|1,0,0]=3 1161 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,0,0,0,0,2|1,0,0]=3 1162 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,0,0,0,0,2|0,0,2]=4 1163 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,0,0,0,0,2|1,0,0]=3 1164 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,0,0,0,0,2|1,0,0]=3 1165 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,0,0,0,0,2|1,0,0]=3 1166 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,0,0,0,0,2|1,0,0]=3 1167 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,0,0,0,0,2|0,0,2]=4 1168 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,0,0,0,0,2|0,0,2]=4 1169 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,0,0,0,0,2|1,0,0]=3 1170 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,0,0,0,0,2|2,0,0]=4 1171 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,0,0,0,0,2|1,0,0]=3