0 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,0,0|0,0,1]=1 1 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,0|1,0,0]=1 42 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,0|1,0,0]=1 43 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,0|1,0,0]=1 62 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,0|1,0,0]=1 63 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,0|1,0,0]=1 64 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,0|2,0,0]=2 67 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,0,0,0,0,0|3,0,0]=3 71 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,0,0,0,0,0|3,0,0]=3 72 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,0,0,0,0,0|3,0,0]=3 78 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,0,0,0,0,0|3,0,0]=3 79 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,0,0|1,0,0]=1 91 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,0,0|1,0,0]=1 92 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,0,0|1,0,0]=1 93 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,0,0|2,0,0]=2 96 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,0,0|2,0,0]=2 97 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,0,0|1,0,0]=1 98 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,0,0|1,0,0]=1 99 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,0,0|1,0,0]=1 104 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,0,0|1,0,0]=1 105 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,0,0|2,0,0]=2 108 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,0,0,0,0,0|2,0,2]=4 109 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,0,0|2,0,0]=2 112 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,0,0|1,0,0]=1 113 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,0,0|1,0,0]=1 114 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,0,0|1,0,0]=1 115 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,0,0|1,0,0]=1 116 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,0|0,0,0]=0 119 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,0|0,0,0]=0 120 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,0|0,0,0]=0 121 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,0,0|0,0,1]=1 122 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,0|0,0,0]=0 123 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,0|0,0,0]=0 124 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,0|0,0,0]=0 125 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,0|0,0,0]=0 126 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,0|0,0,0]=0 127 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,0,0|0,0,1]=1 128 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,0,0|0,0,2]=2 129 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,0,0|0,0,1]=1 130 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,0,0|0,0,1]=1 131 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,0|0,0,0]=0 132 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,0|0,0,0]=0 133 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,0|1,0,1]=2 135 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,0,0,0,0,0|1,0,2]=3 136 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,0|1,0,0]=1 137 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,0|1,0,0]=1 138 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,0|1,0,0]=1 139 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,0|1,0,0]=1 140 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,0|1,0,0]=1 141 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,0|1,0,0]=1 142 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,0|1,0,0]=1 143 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,0|1,0,0]=1 144 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,0,0|1,0,2]=3 146 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,0,0,0,0,0|1,0,3]=4 147 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,0,0,0,0,0|1,0,3]=4 148 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,0,0,0,0,0|1,0,2]=3 149 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,0,0,0,0,0|1,0,2]=3 150 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,0,0,0,0,0|1,0,2]=3 151 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,0,0,0,0,0|1,0,2]=3 152 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,0,0,0,0,0|1,0,2]=3 153 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,0,0,0,0,0|1,0,2]=3 154 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,0,0,0,0,0|1,0,2]=3 155 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,0,0|1,0,0]=1 156 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,0,0|1,0,0]=1 157 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,0|0,0,0]=0 158 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,0,0|2,0,0]=2 159 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,0|1,0,0]=1 160 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,0,0,0,0,0|0,0,3]=3 161 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,0,0,0,0,0|1,0,1]=3 162 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,0,0,0,0,0|1,0,1]=3 164 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,0,0,0,0,0|1,0,1]=3 165 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,0,0,0,0,0|1,0,1]=3 166 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,0,0,0,0,0|1,0,1]=3 167 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,0,0,0,0,0|1,0,1]=3 168 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,0,0,0,0,0|1,0,1]=3 169 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,0,0,0,0,0|2,0,0]=3 176 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,0,0,0,0,0|1,0,0]=2 177 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,0,0,0,0,0|1,0,0]=2 178 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,0,0,0,0,0|1,0,0]=2 179 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,0,0,0,0,0|1,0,0]=2 180 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,0,0,0,0,0|1,0,0]=2 181 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,0,0,0,0,0|1,0,0]=2 182 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,0,0,0,0,0|1,0,0]=2 183 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,0,0,0,0,0|1,0,0]=2 184 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [1,0,0,0,0,0|1,0,2]=4 187 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [1,0,0,0,0,0|1,0,2]=4 188 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [1,0,0,0,0,0|1,0,2]=4 189 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [1,0,0,0,0,0|1,0,2]=4 190 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [1,0,0,0,0,0|1,0,2]=4 191 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,0,0,0,0,0|1,0,1]=3 199 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,0,0,0,0,0|1,0,1]=3 202 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,0,0,0,0,0|1,0,1]=3 203 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [1,0,0,0,0,0|2,0,1]=4 204 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,0,0,0,0,0|1,0,1]=3 210 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,0,0,0,0,0|1,0,1]=3 211 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,0,0,0,0,0|2,0,0]=3 229 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [1,0,0,0,0,0|2,0,1]=4 232 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,0,0,0,0,0|0,0,1]=2 243 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,0,0,0,0,0|1,0,1]=3 245 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,0,0,0,0,0|1,0,1]=3 246 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,0,0,0,0,0|1,0,1]=3 247 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,0,0,0,0,0|1,0,1]=3 248 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,0,0,0,0,0|1,0,1]=3 249 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,0,0,0,0,0|1,0,1]=3 250 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,0,0,0,0,0|1,0,1]=3 251 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,0,0,0,0,0|1,0,1]=3 252 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,0,0,0,0,0|1,0,1]=3 253 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,0,0,0,0,0|1,0,1]=3 254 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,0,0,0,0,0|1,0,1]=3 256 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,0,0,0,0,0|1,0,1]=3 257 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,0,0,0,0,0|1,0,1]=3 259 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,0,0,0,0,0|2,0,0]=3 261 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,0,0,0,0,0|2,0,0]=3 262 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,0,0,0,0,0|2,0,0]=3 263 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,0,0,0,0,0|0,0,1]=2 264 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,0,0,0,0,0|0,0,1]=2 265 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,0,0,0,0,0|1,0,1]=3 266 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [1,0,0,0,0,0|1,0,2]=4 267 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,0,0,0,0,0|1,0,0]=2 268 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,0,0,0,0,0|1,0,0]=2 277 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,0,0,0,0,0|1,0,0]=2 278 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,0,0,0,0,0|1,0,0]=2 279 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,0,0,0,0,0|1,0,0]=2 280 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,0,0,0,0,0|1,0,0]=2 281 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [1,0,0,0,0,0|1,0,1]=3 287 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [1,0,0,0,0,0|1,0,1]=3 288 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [1,0,0,0,0,0|1,0,1]=3 292 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [1,0,0,0,0,0|1,0,1]=3 293 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [1,0,0,0,0,0|1,0,1]=3 294 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,0,0|0,0,1]=2 295 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,0,0|0,0,1]=2 296 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,0,0,0,0|2,0,0]=3 305 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,0,0|1,0,0]=2 306 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,0,0|2,0,0]=3 310 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,0,0|2,0,0]=3 311 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,0,0|2,0,0]=3 313 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,0|1,0,1]=3 315 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,0,0,0,0,0|1,0,2]=4 316 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [1,0,0,0,0,0|2,1,0]=4 322 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [1,0,0,0,0,0|2,0,0]=3 323 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,0,0|1,0,0]=2 324 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [1,0,0,0,0,0|3,0,0]=4 326 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,0,0,0,0,0|2,0,0]=3 327 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,0,0,0,0,0|2,0,0]=3 328 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [1,0,0,0,0,0|2,1,0]=4 332 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,0|0,0,2]=3 335 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,0|0,0,2]=3 336 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,0|0,0,0]=1 337 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,0,0|1,0,1]=3 339 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,0|1,0,0]=2 340 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,0|1,0,0]=2 341 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,0|1,0,0]=2 342 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [1,0,0,0,0,0|0,0,2]=3 343 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [1,0,0,0,0,0|1,0,2]=4 344 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,0,0,0,0,0|1,0,1]=3 345 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,0,0,0,0,0|1,0,1]=3 346 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [1,0,0,0,0,0|1,2,0]=4 347 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [1,0,0,0,0,0|3,0,0]=4 348 B10R0.12 O=C(O)CCC(=O)P(=O)(O)O MCULE-3743459791 [0,1,0,0,0,0|2,0,1]=4 349 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,1,0,0,0,0|2,0,0]=3 350 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,1,0,0,0,0|2,0,0]=3 352 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,1,0,0,0,0|2,0,0]=3 353 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,1,0,0,0,0|2,0,0]=3 354 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,1,0,0,0,0|2,0,0]=3 355 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,1,0,0,0,0|2,0,0]=3 356 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,1,0,0,0,0|2,0,1]=4 357 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,0,0|0,0,0]=1 358 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,0,0|0,0,0]=1 359 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,0,0|0,0,0]=1 360 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,0,0|0,0,0]=1 361 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,0|0,0,0]=1 362 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,0,0|0,0,0]=1 363 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,1,0,0,0,0|1,0,1]=3 364 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,1,0,0,0,0|1,0,1]=3 365 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,1,0,0,0,0|2,0,0]=3 367 B10R0.43 CC(=O)NCC(C)(C)C(=O)O MCULE-5666730658 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,0,0|1,0,0]=2 369 B10R0.43 CC(C)(CCC(=O)O)N(=O)=O MCULE-3681024480 [0,1,0,0,0,0|2,0,1]=4 370 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,0,0|2,0,0]=3 371 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-2123997656 [0,1,0,0,0,0|2,0,1]=4 372 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-6592793938 [0,1,0,0,0,0|2,0,1]=4 373 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,0,0|0,0,0]=1 374 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,0,0|0,0,0]=1 375 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,1,0,0,0,0|1,0,0]=2 376 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,1,0,0,0,0|0,0,0]=1 377 B10R0.57 CC[C@@H](C)[C@H](N)CCC(=O)O MCULE-6163799872 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.57 CC[C@@H](C)[C@H](N)CCC(=O)O MCULE-8974084013 [0,1,0,0,0,0|2,0,1]=4 379 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,1,0,0,0,0|1,0,0]=2 380 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,1,0,0,0,0|1,0,0]=2 381 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,1,0,0,0,0|0,0,0]=1 382 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,1,0,0,0,0|0,0,0]=1 383 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,1,0,0,0,0|0,0,0]=1 384 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-4661683975 [0,1,0,0,0,0|2,0,1]=4 385 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-8175830083 [0,1,0,0,0,0|2,0,1]=4 386 B10R0.57 COC(=O)[C@@H](C)CSC(=O)C MCULE-1724066289 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,1,0,0,0,0|1,0,0]=2 388 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,1,0,0,0,0|1,0,0]=2 389 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,1,0,0,0,0|1,0,0]=2 390 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,1,0,0,0,0|1,0,0]=2 391 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,1,0,0,0,0|0,0,0]=1 392 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,1,0,0,0,0|0,0,0]=1 393 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,1,0,0,0,0|1,0,0]=2 394 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,1,0,0,0,0|1,0,0]=2 395 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,1,0,0,0,0|1,0,0]=2 396 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,1,0,0,0,0|1,0,0]=2 397 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,1,0,0,0,0|0,0,0]=1 398 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,1,0,0,0,0|0,0,0]=1 399 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,1,0,0,0,0|0,0,0]=1 400 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,1,0,0,0,0|0,0,0]=1 401 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,1,0,0,0,0|1,0,0]=2 402 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,0|1,0,0]=2 403 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,1,0,0,0,0|1,0,0]=2 404 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,1,0,0,0,0|1,0,0]=2 405 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,0|0,0,0]=1 406 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,0|0,0,0]=1 407 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,0|0,0,0]=1 408 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,0|0,0,0]=1 409 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,1,0,0,0,0|1,0,0]=2 410 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,1,0,0,0,0|1,0,0]=2 411 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,1,0,0,0,0|1,0,0]=2 412 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,1,0,0,0,0|1,0,0]=2 413 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,0|0,0,0]=1 414 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,0|0,0,0]=1 415 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,0|0,0,0]=1 416 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,0|0,0,0]=1 417 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,0|0,0,0]=1 418 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,0|1,0,0]=2 419 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,1,0,0,0,0|1,0,1]=3 420 B10R0.82 NC(CS/C(=C\Cl)/Cl)C(=O)O MCULE-9787799918 [0,1,0,0,0,0|3,0,0]=4 421 B10R0.82 NC(CSC(=CCl)Cl)C(=O)O MCULE-3439601737 [0,1,0,0,0,0|3,0,0]=4 422 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-5359725270 [0,1,0,0,0,0|2,0,1]=4 423 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-7837362209 [0,1,0,0,0,0|2,0,1]=4 424 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,1,0,0,0,0|1,0,1]=3 425 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,1,0,0,0,0|1,0,1]=3 426 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,1,0,0,0,0|1,0,1]=3 427 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,1,0,0,0,0|1,0,1]=3 428 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,1,0,0,0,0|1,0,1]=3 429 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,1,0,0,0,0|1,0,1]=3 430 B10R0.82 N[C@@H](CS/C(=C\Cl)/Cl)C(=O)O MCULE-8518825069 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.82 N[C@@H](CSC(=CCl)Cl)C(=O)O MCULE-2279209273 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.82 N[C@@H](CSC(=CCl)Cl)C(=O)O MCULE-6627444633 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,1,0,0,0,0|2,0,0]=3 434 B10R0.84 CCC(CCC(=O)Cl)C(=O)Cl MCULE-9973212610 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,0,0|0,0,0]=1 436 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,0,0|0,0,0]=1 437 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,1,0,0,0,0|1,0,0]=2 438 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,0,0|0,0,0]=1 439 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,0,0|0,0,0]=1 440 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,1,0,0,0,0|1,0,0]=2 441 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,0,0|0,0,0]=1 442 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,0,0|0,0,1]=2 443 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-5001409958 [0,1,0,0,0,0|2,0,1]=4 444 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-7547332237 [0,1,0,0,0,0|2,0,1]=4 445 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-3569540908 [0,1,0,0,0,0|2,0,1]=4 446 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-9483102958 [0,1,0,0,0,0|2,0,1]=4 447 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-5183011899 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-8076963991 [0,1,0,0,0,0|2,0,1]=4 449 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,1,0,0,0,0|2,0,1]=4 450 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,0,0|1,0,0]=2 451 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,0,0|1,0,0]=2 452 B10R0.92 CP(=O)([O-])CCC(N)C(=O)[O-] MCULE-3285075792 [0,1,0,0,0,0|1,0,2]=4 453 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,1,0,0,0,0|2,0,0]=3 454 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,1,0,0,0,0|2,0,0]=3 455 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,1,0,0,0,0|2,0,0]=3 456 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,1,0,0,0,0|2,0,0]=3 457 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,1,0,0,0,0|2,0,0]=3 458 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,1,0,0,0,0|2,0,0]=3 459 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-2040686966 [0,1,0,0,0,0|2,0,1]=4 460 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-6821893612 [0,1,0,0,0,0|2,0,1]=4 461 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,1,0,0,0,0|1,0,1]=3 462 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,1,0,0,0,0|1,0,1]=3 463 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,1,0,0,0,0|1,0,1]=3 464 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,1,0,0,0,0|1,0,1]=3 465 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,1,0,0,0,0|1,0,1]=3 466 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,1,0,0,0,0|2,0,1]=4 467 B10R0.92 NC(CCC(F)(F)F)C(=O)O MCULE-7800257085 [0,1,0,0,0,0|2,0,1]=4 468 B10R0.92 NC(CCC(F)(F)F)C(=O)O MCULE-7974302824 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,0|1,0,0]=2 470 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,0,0|1,0,0]=2 471 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,1,0,0,0,0|2,0,0]=3 472 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,1,0,0,0,0|2,0,0]=3 473 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,1,0,0,0,0|2,0,1]=4 474 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-2676514158 [0,1,0,0,0,0|2,0,1]=4 475 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-3530029878 [0,1,0,0,0,0|2,0,1]=4 476 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-4027730290 [0,1,0,0,0,0|2,0,1]=4 477 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-5522273226 [0,1,0,0,0,0|2,0,1]=4 478 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,0|1,0,0]=2 479 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,0|1,0,0]=2 480 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,0,0|1,0,0]=2 481 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,1,0,0,0,0|2,0,0]=3 482 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,1,0,0,0,0|2,0,0]=3 483 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,1,0,0,0,0|2,0,0]=3 484 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,1,0,0,0,0|2,0,0]=3 485 B10R0.92 N[C@@H](COS(=O)(=O)[O-])C(=O)O MCULE-9200207665 [0,1,0,0,0,0|2,0,1]=4 486 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,1,0,0,0,0|2,0,0]=3 487 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,1,0,0,0,0|2,0,1]=4 489 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O MCULE-4321285531 [0,1,0,0,0,0|2,0,1]=4 490 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O MCULE-7078646886 [0,1,0,0,0,0|2,0,1]=4 491 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,0|1,0,0]=2 492 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,0,0|1,0,0]=2 493 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,1,0,0,0,0|2,0,0]=3 494 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,1,0,0,0,0|2,0,0]=3 495 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,1,0,0,0,0|2,0,0]=3 497 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,1,0,0,0,0|1,0,2]=4 498 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,0,0|1,0,0]=2 499 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,0,0|0,0,0]=1 500 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,1,0,0,0,0|2,0,0]=3 501 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,0,0|0,0,0]=1 502 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,0,0|0,0,0]=1 503 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,1,0,0,0,0|1,0,0]=2 504 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,1,0,0,0,0|1,0,0]=2 505 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,1,0,0,0,0|0,0,0]=1 506 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,1,0,0,0,0|0,0,0]=1 507 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,1,0,0,0,0|0,0,0]=1 508 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,0,0|0,0,0]=1 509 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,1,0,0,0,0|0,0,0]=1 510 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,1,0,0,0,0|0,0,0]=1 511 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,1,0,0,0,0|0,0,0]=1 512 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,0,0|0,0,0]=1 513 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,0,0|0,0,0]=1 514 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,1,0,0,0,0|0,0,0]=1 515 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,1,0,0,0,0|0,0,0]=1 516 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,1,0,0,0,0|0,0,0]=1 517 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,1,0,0,0,0|0,0,0]=1 518 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,1,0,0,0,0|0,0,0]=1 519 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,1,0,0,0,0|0,0,0]=1 520 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,1,0,0,0,0|0,0,0]=1 521 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,1,0,0,0,0|0,0,0]=1 522 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,0,0|0,0,0]=1 523 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,0,0|0,0,0]=1 524 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,1,0,0,0,0|0,0,0]=1 525 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,1,0,0,0,0|0,0,0]=1 526 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,1,0,0,0,0|0,0,0]=1 527 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,1,0,0,0,0|0,0,0]=1 528 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,0,0|0,0,0]=1 529 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,1,0,0,0,0|1,0,0]=2 530 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,0,0,1,0,0|3,0,0]=4 532 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,0,0,1,0,0|3,0,0]=4 533 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,0,0,1,0,0|2,0,1]=4 534 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,0,0,1,0,0|2,0,1]=4 535 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,0,0,1,0,0|2,0,1]=4 536 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,0,0,1,0,0|3,0,0]=4 537 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [0,0,0,1,0,0|3,0,0]=4 538 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [0,0,0,1,0,0|3,0,0]=4 539 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,0,0,1,0,0|2,0,1]=4 540 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,0,0,1,0,0|1,0,1]=3 541 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,0,0,1,0,0|1,0,1]=3 542 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,0,0,1,0,0|1,0,1]=3 543 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,0,0,1,0,0|1,0,1]=3 544 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,0,0,1,0,0|1,0,1]=3 545 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,0,0,1,0,0|1,0,1]=3 546 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,0,0,1,0,0|1,0,1]=3 547 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,0,0,1,0,0|1,0,1]=3 548 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,0,0,1,0,0|1,0,1]=3 549 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,0,0,1,0,0|1,0,1]=3 550 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,0,0,1,0,0|1,0,1]=3 551 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,0,0,1,0,0|1,0,1]=3 552 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,0,0,1,0,0|2,0,1]=4 553 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,0,0,1,0,0|1,0,1]=3 554 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,0,0,1,0,0|1,0,1]=3 555 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,0,0,1,0,0|1,0,1]=3 556 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,0,0,1,0,0|1,0,1]=3 557 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,0,0,1,0,0|2,0,1]=4 558 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,0,0,1,0,0|1,0,1]=3 559 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,0,0,1,0,0|1,0,1]=3 560 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,0,0,1,0,0|1,0,1]=3 561 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,0,0,1,0,0|1,0,2]=4 562 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,0,0,1,0,0|3,0,0]=4 563 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,1,0,0|2,0,0]=3 564 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,1,0,0|2,0,0]=3 565 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,1,0,0|1,0,0]=2 566 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,1,0,0|1,0,0]=2 567 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,1,0,0|2,0,0]=3 568 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,1,0,0|2,0,0]=3 569 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,1,0,0|1,0,0]=2 570 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,1,0,0|1,0,0]=2 571 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,1,0,0|1,0,0]=2 572 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,1,0,0|1,0,0]=2 573 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,1,0,0|2,0,0]=3 574 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,1,0,0|1,0,0]=2 575 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,1,0,0|1,0,0]=2 576 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,1,0,0|1,0,0]=2 577 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,1,0,0|1,0,0]=2 578 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,1,0,0|2,0,0]=3 579 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,1,0,0|2,0,0]=3 580 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,1,0,0|2,0,0]=3 581 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,1,0,0|2,0,0]=3 582 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,1,0,0|2,0,0]=3 583 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,1,0,0|2,0,0]=3 584 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,1,0,0|2,0,0]=3 585 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,0,0,1,0,0|1,0,1]=3 586 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,0,0,1,0,0|1,0,1]=3 587 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,0,0,1,0,0|3,0,0]=4 588 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [0,0,0,1,0,0|3,0,0]=4 589 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,0,0,1,0,0|2,0,0]=3 590 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,0,0,1,0,0|3,0,0]=4 591 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [0,0,0,1,0,0|3,0,0]=4 592 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [0,0,0,1,0,0|3,0,0]=4 593 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,0,0|1,0,1]=3 594 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,0,0|1,0,1]=3 595 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,0,0,1,0,0|3,0,0]=4 596 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,0,0,1,0,0|2,0,0]=3 597 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,0,0,1,0,0|2,0,0]=3 598 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,0,0,1,0,0|2,0,0]=3 599 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,0,0,1,0,0|2,0,0]=3 600 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,0,0,1,0,0|2,0,0]=3 601 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-1760692606 [0,0,0,1,0,0|2,0,1]=4 602 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-6477382898 [0,0,0,1,0,0|2,0,1]=4 603 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-1367965106 [0,0,0,1,0,0|2,0,1]=4 604 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-5181157821 [0,0,0,1,0,0|2,0,1]=4 605 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-9629419450 [0,0,0,1,0,0|2,0,1]=4 606 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1255189062 [0,0,0,1,0,0|2,0,1]=4 607 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1573159970 [0,0,0,1,0,0|2,0,1]=4 608 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-3597897261 [0,0,0,1,0,0|2,0,1]=4 609 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-5950701932 [0,0,0,1,0,0|2,0,1]=4 610 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-6764578128 [0,0,0,1,0,0|2,0,1]=4 611 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-8635317976 [0,0,0,1,0,0|2,0,1]=4 612 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-2623468295 [0,0,0,1,0,0|2,0,1]=4 613 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-4157898594 [0,0,0,1,0,0|2,0,1]=4 614 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8831652749 [0,0,0,1,0,0|2,0,1]=4 615 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8994723547 [0,0,0,1,0,0|2,0,1]=4 616 B10R1.349 CC(=O)N1CC(C1)C(=O)O MCULE-3908865552 [0,0,0,1,0,0|3,0,0]=4 617 B10R1.349 NC(=O)N1CC(C1)C(=O)O MCULE-3854559032 [0,0,0,1,0,0|3,0,0]=4 618 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,0,0|1,0,0]=2 619 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,0,0|0,0,0]=1 620 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,0,0|1,0,0]=2 621 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,0,0|1,0,0]=2 622 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,1,0,0|2,0,1]=4 623 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,1,0,0|2,0,1]=4 624 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,0,0,1,0,0|2,0,1]=4 625 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,0|1,0,1]=3 626 B10R1.360 C=C(C)C1(CC1C(=O)O)C MCULE-5145834120 [0,0,0,1,0,0|3,0,0]=4 627 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|1,0,0]=2 628 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,0,0,1,0,0|2,0,0]=3 629 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,0,0,1,0,0|2,0,0]=3 630 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,0,0|1,0,0]=2 631 B10R1.470 CC1(CNC(=O)C1)C(=O)O MCULE-2188595466 [0,0,0,1,0,0|3,0,0]=4 632 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,0,0,1,0,0|2,0,0]=3 633 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,0,0,1,0,0|2,0,0]=3 634 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,0,0,1,0,0|2,0,0]=3 635 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,0,0,1,0,0|2,0,0]=3 636 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,1,0|1,0,2]=4 637 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,0,0,0,1,0|2,0,1]=4 638 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,1,0|2,0,0]=3 639 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,1,0|1,0,2]=4 640 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,1,0|1,0,2]=4 641 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,1,0|2,0,0]=3 642 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,1,0|2,0,0]=3 643 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,1,0|2,0,0]=3 644 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,1,0|2,0,0]=3 645 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,1,0|2,0,0]=3 646 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,0,0,0,1,0|2,0,0]=3 647 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,0,0,1,0|3,0,0]=4 648 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,1,0|2,0,0]=3 649 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,1,0|2,0,0]=3 650 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,0,0,1,0|3,0,0]=4 651 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,1,0|2,0,0]=3 652 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,1,0|2,0,0]=3 653 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,1,0|3,0,0]=4 654 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,1,0|1,0,1]=3 655 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,1,0|2,0,0]=3 656 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,1,0|2,0,0]=3 657 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,1,0|1,0,2]=4 658 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,1,0|2,0,0]=3 659 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,1,0|1,0,0]=2 660 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,1,0|2,0,0]=3 661 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,1,0|1,0,0]=2 662 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,1,0|1,0,0]=2 663 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,0,0,1,0|3,0,0]=4 664 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,1,0|2,0,0]=3 665 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,1,0|3,0,0]=4 666 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,1,0|3,0,0]=4 667 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,1,0|3,0,0]=4 668 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,1,0|3,0,0]=4 669 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,1,0|3,0,0]=4 670 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,1,0|3,0,0]=4 671 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,1,0|3,0,0]=4 672 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,1,0|3,0,0]=4 673 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,1,0|3,0,0]=4 674 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,1,0|3,0,0]=4 675 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,1,0|3,0,0]=4 676 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,1,0|3,0,0]=4 677 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,1,0|3,0,0]=4 678 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,0,0,0,1,0|2,0,1]=4 679 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,0,0,0,1,0|2,0,1]=4 680 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,0,0,0,1,0|2,0,1]=4 681 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,0,0,0,1,0|2,0,1]=4 682 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,0,0,0,1,0|2,0,1]=4 683 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,0,0,0,1,0|2,0,1]=4 684 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,0,0,0,1,0|2,0,1]=4 685 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,0,0,0,1,0|2,0,1]=4 686 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,0,0,0,1,0|2,0,1]=4 687 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,0,0,0,1,0|2,0,1]=4 688 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,0,0,0,1,0|2,0,1]=4 689 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,0,0,0,1,0|2,0,1]=4 690 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,0,0,0,1,0|2,0,1]=4 691 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,0,0,0,1,0|2,0,1]=4 692 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,0,0,0,1,0|2,0,1]=4 693 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,0,0,0,1,0|2,0,1]=4 694 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,0,0,0,1,0|2,0,1]=4 695 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,0,0,0,1,0|2,0,1]=4 696 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,0,0,0,1,0|2,0,1]=4 697 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,1,0|3,0,0]=4 698 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,1,0|2,0,0]=3 699 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,1,0|1,0,0]=2 700 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,1,0|1,0,0]=2 701 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,0,0,1,0|3,0,0]=4 702 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,1,0|3,0,0]=4 703 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,1,0|1,0,1]=3 704 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,1,0|1,0,1]=3 705 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,0,0,0,1,0|3,0,0]=4 706 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,0,0,0,1,0|3,0,0]=4 707 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,0,0,0,1,0|3,0,0]=4 708 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,0,0,0,1,0|3,0,0]=4 709 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,0,0,0,1,0|3,0,0]=4 710 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,0,0,0,1,0|3,0,0]=4 711 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,0,0,0,1,0|3,0,0]=4 712 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,1,0|3,0,0]=4 713 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,1,0|2,0,0]=3 714 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,1,0|2,0,0]=3 715 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,1,0|2,0,0]=3 716 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,1,0|1,0,0]=2 717 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,1,0|1,0,0]=2 718 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,1,0|1,0,1]=3 719 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,1,0|1,0,1]=3 720 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,1,0|1,0,1]=3 721 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,1,0|1,0,1]=3 722 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,1,0|1,0,1]=3 723 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,1,0|1,0,1]=3 724 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,1,0|1,0,0]=2 725 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,1,0|1,0,0]=2 726 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,0,0,0,1,0|2,0,1]=4 727 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,0,0,0,1,0|2,0,1]=4 728 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,1,0|3,0,0]=4 729 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,1,0|1,0,1]=3 730 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,1,0|2,0,0]=3 731 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,1,0|1,0,0]=2 732 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,1,0|2,0,0]=3 733 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,1,0|1,0,0]=2 734 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,1,0|2,0,0]=3 735 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,1,0|1,0,0]=2 736 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,1,0|1,0,0]=2 737 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,1,0|2,0,0]=3 738 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,1,0|2,0,0]=3 739 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,1,0|2,0,0]=3 740 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,1,0|2,0,0]=3 741 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,1,0|1,0,0]=2 742 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,1,0|1,0,0]=2 743 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,1,0|2,0,0]=3 744 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,1,0|1,0,0]=2 745 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,1,0|1,0,0]=2 746 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,1,0|1,0,0]=2 747 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,1,0|1,0,0]=2 748 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,1,0|1,0,0]=2 749 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,1,0|1,0,0]=2 750 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,1,0|0,0,0]=1 751 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,1,0|0,0,0]=1 752 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,1,0|0,0,1]=2 753 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,1,0|0,0,1]=2 754 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,1,0|0,0,1]=2 755 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,1,0|0,0,2]=3 756 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,1,0|0,0,2]=3 757 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,0,0,0,1,0|2,0,1]=4 758 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,0,0,0,1,0|2,0,1]=4 759 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,1,0|0,0,0]=1 760 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,1,0|0,0,0]=1 761 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,1,0|0,0,1]=2 762 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,1,0|0,0,1]=2 763 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,1,0|0,0,2]=3 764 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,1,0|0,0,2]=3 765 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,1,0|0,0,2]=3 766 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,1,0|0,0,2]=3 767 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,1,0|0,0,2]=3 768 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,0,0,0,1,0|2,0,1]=4 769 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,0,0,0,1,0|2,0,1]=4 770 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,0,0,0,1,0|2,0,1]=4 771 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,0,0,0,1,0|2,0,1]=4 772 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,1,0|1,0,0]=2 773 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,1,0|1,0,0]=2 774 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,1,0|0,0,0]=1 775 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,0,0,0,1,0|2,0,1]=4 776 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,0,0,0,1,0|2,0,1]=4 777 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,1,0|1,0,2]=4 778 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,1,0|1,0,2]=4 779 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,1,0|1,0,2]=4 780 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,1,0|1,0,1]=3 781 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,1,0|1,0,0]=2 782 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,1,0|1,0,0]=2 783 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,1,0|1,0,0]=2 784 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,1,0|1,0,0]=2 785 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,1,0|1,0,0]=2 786 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,1,0|1,0,0]=2 787 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,1,0|1,0,0]=2 788 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,1,0|1,0,0]=2 789 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,1,0|1,0,0]=2 790 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,1,0|1,0,0]=2 791 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,1,0|1,0,0]=2 792 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,1,0|1,0,0]=2 793 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,1,0|1,0,0]=2 794 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,1,0|1,0,0]=2 795 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,1,0|1,0,0]=2 796 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,1,0|1,0,0]=2 797 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,1,0|1,0,1]=3 798 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,1,0|1,0,0]=2 799 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,1,0|2,0,0]=3 800 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,1,0|0,0,0]=1 801 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,1,0|2,0,0]=3 802 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,0,0,0,1,0|1,0,2]=4 803 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,0,0,0,1,0|0,0,3]=4 804 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,0,0,0,0,1|2,0,1]=4 805 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,1|1,0,0]=2 806 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,1|1,0,0]=2 807 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,1|1,0,0]=2 808 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,0,0,0,0,1|1,0,0]=2 809 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,0,0,0,0,1|1,0,0]=2 810 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,0,0,0,0,1|1,0,0]=2 811 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,0,0,0,0,1|1,0,0]=2 812 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,0,0,0,0,1|1,0,0]=2 813 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,0,0,0,0,1|1,0,0]=2 814 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,0,0,0,0,1|1,0,0]=2 815 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,0,0,0,0,1|1,0,0]=2 816 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,0,0,0,0,1|0,0,0]=1 817 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,0,0,0,0,1|0,0,0]=1 818 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,0,0,0,0,1|0,0,0]=1 819 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,0,0,0,0,1|0,0,0]=1 820 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,0,0,0,0,1|0,0,0]=1 821 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,0,0,0,0,1|0,0,0]=1 822 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,0,0,0,0,1|0,0,0]=1 823 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,0,0,0,0,1|0,0,0]=1 824 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,0,1|2,0,0]=3 825 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,0,0,0,0,1|3,0,0]=4 826 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,0,1|1,0,0]=2 827 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,0,1|1,0,0]=2 828 B10R0.98 CC(=O)OCCC(Cl)C(=O)C MCULE-5825336009 [0,0,0,0,0,1|3,0,0]=4 829 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,0,1|1,0,0]=2 830 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,0,1|1,0,0]=2 831 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,0,1|1,0,0]=2 832 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,0,1|1,0,0]=2 833 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,0,1|2,0,1]=4 834 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,0,1|2,0,1]=4 835 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,0,1|2,0,1]=4 836 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,0,1|2,0,1]=4 837 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,0,0,0,0,1|3,0,0]=4 838 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,0,1|3,0,0]=4 839 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,0,1|2,0,0]=3 840 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,0,1|2,0,0]=3 841 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,0,1|2,0,0]=3 842 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,0,1|2,0,0]=3 843 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,0,1|0,0,0]=1 844 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,0,1|0,0,0]=1 845 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,0,1|0,0,0]=1 846 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,0,1|0,0,0]=1 847 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,0,1|0,0,0]=1 848 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,0,1|0,0,0]=1 849 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O MCULE-5838139886 [0,0,0,0,0,1|2,0,1]=4 850 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,0,1|0,0,0]=1 851 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,0,1|0,0,0]=1 852 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,0,1|0,0,0]=1 853 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,0,1|0,0,0]=1 854 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,0,1|1,0,1]=3 855 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,0,1|1,0,0]=2 856 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,0,1|1,0,0]=2 857 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,0,0,0,0,1|2,0,1]=4 858 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,0,0,0,0,1|1,0,2]=4 859 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [2,0,0,0,0,0|1,0,1]=4 860 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|1,0,1]=4 861 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [2,0,0,0,0,0|2,0,0]=4 862 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|1,0,0]=3 863 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,1]=4 868 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [2,0,0,0,0,0|2,0,0]=4 870 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,1]=4 871 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,1]=4 872 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|2,0,0]=4 873 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|1,0,1]=4 877 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|1,0,1]=4 878 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|1,0,1]=4 879 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|1,0,1]=4 880 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|1,0,1]=4 881 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|1,0,1]=4 882 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|2,0,0]=4 883 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|2,0,0]=4 884 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [2,0,0,0,0,0|1,0,1]=4 885 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,1]=4 886 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,1]=3 888 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,1]=4 889 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [2,0,0,0,0,0|1,0,1]=4 890 B7R0.4 O=C(O)COCCO MCULE-8297137880 [2,0,0,0,0,0|1,0,1]=4 891 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [2,0,0,0,0,0|1,0,1]=4 892 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|0,0,2]=4 893 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,0]=2 894 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [2,0,0,0,0,0|0,0,2]=4 895 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [2,0,0,0,0,0|0,0,2]=4 896 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [2,0,0,0,0,0|0,0,2]=4 897 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [2,0,0,0,0,0|0,0,2]=4 898 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [2,0,0,0,0,0|0,0,2]=4 899 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [2,0,0,0,0,0|0,0,2]=4 900 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [2,0,0,0,0,0|0,0,2]=4 901 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [2,0,0,0,0,0|0,0,2]=4 902 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [2,0,0,0,0,0|0,0,2]=4 903 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [2,0,0,0,0,0|0,0,2]=4 904 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [2,0,0,0,0,0|0,0,2]=4 905 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [2,0,0,0,0,0|0,0,2]=4 906 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|1,0,1]=4 907 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|1,0,1]=4 908 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|0,0,1]=3 909 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|0,0,1]=3 910 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|0,0,1]=3 911 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|0,0,1]=3 912 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|1,0,1]=4 913 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|0,0,1]=3 914 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|0,0,1]=3 915 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|0,0,1]=3 916 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|0,0,1]=3 917 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|1,0,1]=4 918 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|0,0,1]=3 919 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|0,0,1]=3 920 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|0,0,1]=3 921 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|0,0,1]=3 922 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|1,0,1]=4 923 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [2,0,0,0,0,0|2,0,0]=4 926 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [2,0,0,0,0,0|2,0,0]=4 927 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [2,0,0,0,0,0|2,0,0]=4 928 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,0]=3 929 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [2,0,0,0,0,0|1,0,1]=4 930 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|2,0,0]=4 931 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [2,0,0,0,0,0|1,0,1]=4 932 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,0,0,0,0|1,0,1]=4 933 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [2,0,0,0,0,0|1,0,1]=4 934 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [2,0,0,0,0,0|1,0,1]=4 935 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [2,0,0,0,0,0|1,0,1]=4 936 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [2,0,0,0,0,0|1,0,1]=4 937 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|0,0,1]=3 938 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|0,0,1]=3 939 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|0,0,1]=3 940 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,1]=4 941 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,1]=4 942 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|0,0,1]=3 943 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|0,0,1]=3 944 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,1]=4 945 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [2,0,0,0,0,0|1,0,1]=4 946 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [2,0,0,0,0,0|1,0,1]=4 947 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [2,0,0,0,0,0|1,0,1]=4 948 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [2,0,0,0,0,0|1,0,1]=4 949 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [2,0,0,0,0,0|1,0,1]=4 950 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|0,0,1]=3 951 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|0,0,1]=3 952 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|0,0,1]=3 953 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,1]=4 954 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,1]=4 955 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|1,0,1]=4 956 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|1,0,1]=4 957 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|1,0,1]=4 958 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|1,0,1]=4 959 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|1,0,1]=4 960 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|1,0,1]=4 961 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|1,0,1]=4 962 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|1,0,1]=4 963 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|1,0,1]=4 964 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|1,0,1]=4 965 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|1,0,1]=4 966 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|1,0,1]=4 967 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|1,0,1]=4 968 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|1,0,1]=4 969 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|1,0,1]=4 970 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|1,0,1]=4 971 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|1,0,1]=4 972 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|1,0,1]=4 973 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|1,0,1]=4 974 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|1,0,1]=4 975 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|1,0,1]=4 976 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [2,0,0,0,0,0|1,1,0]=4 977 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|2,0,0]=4 978 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|2,0,0]=4 979 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|1,0,1]=4 980 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|1,0,1]=4 981 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|1,0,1]=4 982 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|1,0,1]=4 983 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|1,0,1]=4 984 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|1,0,1]=4 985 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [2,0,0,0,0,0|1,0,1]=4 986 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [2,0,0,0,0,0|1,0,1]=4 987 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [2,0,0,0,0,0|1,0,1]=4 988 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|1,0,0]=3 989 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|1,0,0]=3 990 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|1,0,0]=3 991 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|1,0,0]=3 992 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|0,0,0]=2 993 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|0,0,0]=2 994 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|0,1,0]=3 995 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|0,1,0]=3 996 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|1,0,0]=3 997 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [2,0,0,0,0,0|2,0,0]=4 998 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [2,0,0,0,0,0|2,0,0]=4 999 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|1,0,0]=3 1000 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|1,0,0]=3 1001 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|1,0,0]=3 1002 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|1,0,0]=3 1003 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|1,0,0]=3 1004 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|1,0,0]=3 1005 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|1,0,0]=3 1006 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|2,0,0]=4 1007 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|2,0,0]=4 1008 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|1,0,0]=3 1009 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|1,0,0]=3 1010 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|1,0,0]=3 1011 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|1,0,0]=3 1012 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|2,0,0]=4 1013 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|1,0,0]=3 1014 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|1,0,0]=3 1015 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|1,0,0]=3 1016 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|1,0,0]=3 1017 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|1,0,0]=3 1018 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|1,0,0]=3 1019 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|1,0,0]=3 1020 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|1,0,0]=3 1021 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|1,0,0]=3 1022 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|2,0,0]=4 1023 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|1,0,0]=3 1026 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|1,0,0]=3 1027 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|1,0,0]=3 1028 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|1,0,0]=3 1029 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|0,0,0]=2 1030 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|0,0,0]=2 1031 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|0,1,0]=3 1032 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|0,1,0]=3 1033 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [2,0,0,0,0,0|1,1,0]=4 1034 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|1,0,0]=3 1035 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|1,0,0]=3 1036 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|0,0,0]=2 1037 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|0,0,0]=2 1038 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|0,1,0]=3 1039 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|0,1,0]=3 1040 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [2,0,0,0,0,0|2,0,0]=4 1041 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|1,0,0]=3 1042 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [2,0,0,0,0,0|0,0,2]=4 1043 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|1,0,1]=4 1044 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|1,0,1]=4 1045 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|1,0,1]=4 1046 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|1,0,1]=4 1047 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,1]=4 1048 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [2,0,0,0,0,0|1,0,1]=4 1049 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [2,0,0,0,0,0|0,0,1]=3 1050 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [2,0,0,0,0,0|0,0,1]=3 1051 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,0]=3 1052 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [2,0,0,0,0,0|1,0,1]=4 1053 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [2,0,0,0,0,0|1,0,1]=4 1054 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [2,0,0,0,0,0|0,0,1]=3 1056 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [2,0,0,0,0,0|0,0,1]=3 1057 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [2,0,0,0,0,0|0,0,1]=3 1058 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [2,0,0,0,0,0|0,0,1]=3 1059 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [2,0,0,0,0,0|2,0,0]=4 1060 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [2,0,0,0,0,0|0,0,1]=3 1061 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [2,0,0,0,0,0|0,0,1]=3 1062 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|1,0,1]=4 1063 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|0,0,1]=3 1064 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|1,0,1]=4 1065 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|1,0,1]=4 1066 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|2,0,0]=4 1067 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,1]=4 1068 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,1]=4 1069 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [2,0,0,0,0,0|2,0,0]=4 1070 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|2,0,0]=4 1071 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|1,0,1]=4 1072 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [1,1,0,0,0,0|1,0,1]=4 1073 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,1]=4 1074 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [1,1,0,0,0,0|1,0,1]=4 1075 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [1,1,0,0,0,0|1,0,0]=3 1077 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [1,1,0,0,0,0|1,0,0]=3 1078 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [1,1,0,0,0,0|1,0,1]=4 1080 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [1,1,0,0,0,0|1,0,1]=4 1082 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [1,1,0,0,0,0|1,0,1]=4 1083 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [1,1,0,0,0,0|1,0,1]=4 1084 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [1,1,0,0,0,0|1,0,1]=4 1085 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [1,1,0,0,0,0|1,0,1]=4 1086 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [1,1,0,0,0,0|1,0,1]=4 1087 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [1,1,0,0,0,0|1,0,1]=4 1088 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [1,1,0,0,0,0|1,0,1]=4 1089 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [1,1,0,0,0,0|2,0,0]=4 1090 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [1,1,0,0,0,0|1,0,1]=4 1092 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [1,1,0,0,0,0|1,0,1]=4 1093 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [1,1,0,0,0,0|1,0,1]=4 1094 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [1,1,0,0,0,0|1,0,1]=4 1095 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [1,1,0,0,0,0|2,0,0]=4 1096 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [1,1,0,0,0,0|2,0,0]=4 1097 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [1,1,0,0,0,0|2,0,0]=4 1098 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [1,1,0,0,0,0|2,0,0]=4 1099 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [1,1,0,0,0,0|1,0,1]=4 1101 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [1,1,0,0,0,0|1,0,1]=4 1102 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [1,1,0,0,0,0|1,0,1]=4 1103 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [1,1,0,0,0,0|2,0,0]=4 1104 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [1,1,0,0,0,0|2,0,0]=4 1105 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [1,1,0,0,0,0|2,0,0]=4 1106 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [1,1,0,0,0,0|2,0,0]=4 1107 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [1,1,0,0,0,0|1,0,1]=4 1111 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [1,1,0,0,0,0|1,0,1]=4 1112 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [1,1,0,0,0,0|1,0,1]=4 1113 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [1,1,0,0,0,0|1,0,1]=4 1114 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [1,1,0,0,0,0|1,0,1]=4 1115 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [1,1,0,0,0,0|1,0,1]=4 1117 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [1,1,0,0,0,0|1,0,1]=4 1119 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [1,1,0,0,0,0|2,0,0]=4 1122 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [1,1,0,0,0,0|0,0,1]=3 1123 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [1,1,0,0,0,0|1,0,1]=4 1124 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [1,1,0,0,0,0|1,0,1]=4 1125 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|1,0,1]=4 1127 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [1,1,0,0,0,0|1,0,1]=4 1131 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [1,1,0,0,0,0|1,0,1]=4 1132 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [1,1,0,0,0,0|1,0,1]=4 1133 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [1,1,0,0,0,0|1,0,1]=4 1134 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [1,1,0,0,0,0|1,0,1]=4 1135 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [1,1,0,0,0,0|1,0,1]=4 1136 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [1,1,0,0,0,0|1,0,1]=4 1137 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [1,1,0,0,0,0|1,0,1]=4 1138 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [1,1,0,0,0,0|1,0,0]=3 1140 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [1,1,0,0,0,0|1,0,0]=3 1141 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [1,1,0,0,0,0|1,0,0]=3 1142 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [1,1,0,0,0,0|1,0,0]=3 1143 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [1,1,0,0,0,0|1,0,0]=3 1144 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [1,1,0,0,0,0|1,0,0]=3 1145 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [1,1,0,0,0,0|2,0,0]=4 1146 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [1,1,0,0,0,0|1,0,0]=3 1148 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [1,1,0,0,0,0|1,0,0]=3 1149 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [1,1,0,0,0,0|1,0,0]=3 1150 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [1,1,0,0,0,0|1,0,0]=3 1151 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [1,1,0,0,0,0|1,0,0]=3 1152 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [1,1,0,0,0,0|1,0,0]=3 1153 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [1,1,0,0,0,0|1,0,0]=3 1154 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [1,1,0,0,0,0|1,0,0]=3 1155 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [1,1,0,0,0,0|1,0,1]=4 1156 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [1,1,0,0,0,0|1,0,1]=4 1157 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [1,1,0,0,0,0|1,0,1]=4 1158 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [1,1,0,0,0,0|1,0,1]=4 1159 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [1,1,0,0,0,0|1,0,1]=4 1160 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [1,1,0,0,0,0|1,0,1]=4 1161 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [1,1,0,0,0,0|1,0,1]=4 1162 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [1,1,0,0,0,0|1,0,1]=4 1163 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [1,1,0,0,0,0|1,0,1]=4 1164 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [1,1,0,0,0,0|1,0,1]=4 1165 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [1,1,0,0,0,0|1,0,1]=4 1166 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [1,1,0,0,0,0|1,0,1]=4 1167 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [1,1,0,0,0,0|1,0,1]=4 1168 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [1,1,0,0,0,0|1,0,1]=4 1169 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [1,1,0,0,0,0|1,0,1]=4 1170 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [1,1,0,0,0,0|1,0,1]=4 1171 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [1,1,0,0,0,0|1,0,1]=4 1172 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [1,1,0,0,0,0|0,0,1]=3 1177 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [1,1,0,0,0,0|0,0,1]=3 1178 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [1,1,0,0,0,0|1,0,1]=4 1179 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [1,1,0,0,0,0|1,0,1]=4 1180 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [1,1,0,0,0,0|1,0,1]=4 1182 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [1,1,0,0,0,0|1,0,1]=4 1183 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [1,1,0,0,0,0|1,0,1]=4 1187 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [1,1,0,0,0,0|1,0,1]=4 1189 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [1,1,0,0,0,0|1,0,1]=4 1190 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [1,1,0,0,0,0|1,0,1]=4 1191 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [1,1,0,0,0,0|1,0,1]=4 1193 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [1,1,0,0,0,0|1,0,1]=4 1195 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [1,1,0,0,0,0|1,0,1]=4 1196 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [1,1,0,0,0,0|1,0,1]=4 1197 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [1,1,0,0,0,0|1,0,1]=4 1198 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [1,1,0,0,0,0|1,0,1]=4 1199 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [1,1,0,0,0,0|1,0,1]=4 1200 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [1,1,0,0,0,0|1,0,1]=4 1201 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [1,1,0,0,0,0|1,0,1]=4 1202 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [1,1,0,0,0,0|1,0,1]=4 1203 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [1,1,0,0,0,0|1,0,1]=4 1204 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [1,1,0,0,0,0|1,0,1]=4 1205 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [1,1,0,0,0,0|1,0,1]=4 1206 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [1,1,0,0,0,0|1,0,1]=4 1207 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [1,1,0,0,0,0|1,0,1]=4 1208 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [1,1,0,0,0,0|1,0,1]=4 1209 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [1,1,0,0,0,0|1,0,1]=4 1210 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [1,1,0,0,0,0|1,0,1]=4 1211 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [1,1,0,0,0,0|1,0,1]=4 1212 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [1,1,0,0,0,0|1,0,1]=4 1213 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [1,1,0,0,0,0|0,0,1]=3 1214 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [1,1,0,0,0,0|0,0,1]=3 1215 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [1,1,0,0,0,0|0,0,1]=3 1216 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [1,1,0,0,0,0|0,0,1]=3 1217 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [1,1,0,0,0,0|0,0,1]=3 1218 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [1,1,0,0,0,0|0,0,1]=3 1219 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [1,1,0,0,0,0|1,0,0]=3 1220 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [1,1,0,0,0,0|0,0,1]=3 1221 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [1,1,0,0,0,0|0,0,1]=3 1222 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [1,1,0,0,0,0|1,0,1]=4 1223 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [1,1,0,0,0,0|1,0,1]=4 1224 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [1,1,0,0,0,0|1,0,1]=4 1225 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [1,1,0,0,0,0|1,0,1]=4 1226 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [1,1,0,0,0,0|2,0,0]=4 1228 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [1,1,0,0,0,0|2,0,0]=4 1229 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [1,1,0,0,0,0|2,0,0]=4 1230 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [1,1,0,0,0,0|2,0,0]=4 1231 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [1,1,0,0,0,0|2,0,0]=4 1232 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [1,1,0,0,0,0|1,0,0]=3 1233 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [1,1,0,0,0,0|1,0,0]=3 1234 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [1,1,0,0,0,0|1,0,1]=4 1235 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [1,1,0,0,0,0|1,0,1]=4 1236 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [1,1,0,0,0,0|1,0,1]=4 1237 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|1,0,1]=4 1239 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|1,0,1]=4 1240 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [1,1,0,0,0,0|1,0,1]=4 1241 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [1,1,0,0,0,0|1,0,1]=4 1242 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,1,0,0,0,0|1,0,1]=4 1243 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,1,0,0,0,0|1,0,1]=4 1244 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [1,1,0,0,0,0|1,0,1]=4 1245 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [1,1,0,0,0,0|1,0,0]=3 1248 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [1,1,0,0,0,0|2,0,0]=4 1249 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [1,1,0,0,0,0|2,0,0]=4 1250 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [1,1,0,0,0,0|1,0,0]=3 1251 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [1,1,0,0,0,0|2,0,0]=4 1252 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [1,1,0,0,0,0|2,0,0]=4 1253 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [1,1,0,0,0,0|1,0,0]=3 1254 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [1,1,0,0,0,0|1,0,0]=3 1255 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [1,1,0,0,0,0|0,0,0]=2 1256 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [1,1,0,0,0,0|1,1,0]=4 1257 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [1,1,0,0,0,0|1,0,1]=4 1258 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [1,1,0,0,0,0|2,0,0]=4 1259 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [1,1,0,0,0,0|1,0,0]=3 1261 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [1,1,0,0,0,0|2,0,0]=4 1262 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [1,1,0,0,0,0|1,0,0]=3 1263 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [1,1,0,0,0,0|2,0,0]=4 1264 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [1,1,0,0,0,0|1,0,0]=3 1265 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [1,1,0,0,0,0|1,0,0]=3 1266 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [1,1,0,0,0,0|1,0,0]=3 1267 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [1,1,0,0,0,0|1,0,0]=3 1268 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [1,1,0,0,0,0|0,0,2]=4 1269 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [1,1,0,0,0,0|2,0,0]=4 1270 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [1,1,0,0,0,0|1,0,0]=3 1272 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,1,0,0,0,0|0,0,2]=4 1273 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,1,0,0,0,0|0,0,2]=4 1274 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,1,0,0,0,0|2,0,0]=4 1275 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [1,1,0,0,0,0|2,0,0]=4 1276 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,1,0,0,0,0|0,0,0]=2 1277 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,1,0,0,0,0|2,0,0]=4 1278 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,1,0,0,0,0|1,0,0]=3 1279 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,1,0,0,0,0|1,0,0]=3 1280 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,1,0,0,0,0|0,0,0]=2 1281 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,1,0,0,0,0|0,0,0]=2 1282 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,1,0,0,0,0|1,0,0]=3 1283 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,1,0,0,0,0|0,0,2]=4 1284 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,1,0,0,0,0|0,0,1]=3 1285 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,1,0,0,0,0|0,0,0]=2 1286 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,1,0,0,0,0|1,0,0]=3 1287 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,1,0,0,0,0|1,0,1]=4 1288 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,1,0,0,0,0|1,0,1]=4 1289 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|1,0,0]=3 1290 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,1,0,0,1,0|2,0,0]=4 1292 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,1,0,0,1,0|2,0,0]=4 1293 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,1,0|2,0,0]=4 1294 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,0,0,1,0|2,0,0]=4 1295 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,1,0|1,0,0]=3 1296 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,1,0|0,0,0]=2 1297 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,1,0|0,0,0]=2 1298 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,1,0|1,0,0]=3 1299 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,1,0|0,0,0]=2 1300 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,1,0|0,0,0]=2 1301 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,1,0|1,0,0]=3 1302 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,1,0|1,0,0]=3 1303 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,1,0|0,0,0]=2 1304 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,1,0|1,0,0]=3 1305 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,1,0|1,0,0]=3 1306 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,1,0|1,0,0]=3 1307 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,1,0|1,0,1]=4 1308 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,1,0|1,0,0]=3 1309 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,1,0|0,0,0]=2 1310 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,1,0|1,0,0]=3 1311 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,1,0|0,0,0]=2 1312 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,1,0|0,0,0]=2 1313 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,1,0|0,0,0]=2 1314 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,1,0|1,0,0]=3 1315 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,1,0|0,0,0]=2 1316 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,1,0|0,0,0]=2 1317 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,1,0|0,0,0]=2 1318 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,1,0|1,0,0]=3 1319 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,1,0|0,0,0]=2 1320 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,1,0|0,0,0]=2 1321 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,1,0|1,0,0]=3 1322 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,1,0|1,0,0]=3 1323 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,1,0,0,1,0|1,0,1]=4 1324 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,1,0,0,1,0|1,0,1]=4 1325 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,1,0,0,1,0|1,0,0]=3 1326 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,1,0,0,1,0|1,0,0]=3 1327 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,1,0,0,1,0|1,0,0]=3 1328 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,1,0,0,1,0|1,0,0]=3 1329 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,1,0,0,1,0|1,0,0]=3 1330 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,1,0,0,1,0|1,0,0]=3 1331 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,1,0|1,0,0]=3 1332 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,1,0|0,0,0]=2 1333 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,1,0|1,0,0]=3 1334 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,1,0|0,0,0]=2 1335 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,1,0,0,1,0|1,0,1]=4 1336 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,1,0,0,1,0|1,0,1]=4 1337 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,1,0,0,1,0|1,0,1]=4 1338 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,1,0|1,0,0]=3 1339 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,1,0|0,0,0]=2 1340 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,1,0|0,0,0]=2 1341 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,1,0,0,1,0|1,0,1]=4 1342 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,1,0,0,1,0|1,0,1]=4 1343 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,1,0|0,0,0]=2 1344 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,1,0|0,0,0]=2 1345 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,1,0|0,0,0]=2 1346 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,1,0|0,0,0]=2 1347 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,1,0|0,0,0]=2 1348 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,1,0|0,0,0]=2 1349 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,1,0|1,0,0]=3 1350 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,1,0|1,0,0]=3 1351 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,1,0|1,0,0]=3 1352 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,1,0|1,0,0]=3 1353 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,1,0|1,0,0]=3 1354 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,1,0|1,0,0]=3 1355 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,1,0|1,0,0]=3 1356 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,1,0|1,0,0]=3 1357 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,1,0|1,0,0]=3 1358 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,1,0|1,0,0]=3 1359 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,1,0|1,0,0]=3 1360 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,1,0|1,0,0]=3 1361 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,1,0|1,0,0]=3 1362 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,1,0|1,0,0]=3 1363 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,1,0|1,0,0]=3 1364 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,1,0|1,0,0]=3 1365 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,1,0|1,0,0]=3 1366 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,1,0|1,0,0]=3 1367 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,1,0|1,0,0]=3 1368 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,1,0|1,0,0]=3 1369 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,1,0|1,0,0]=3 1370 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,1,0|1,0,0]=3 1371 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,1,0|1,0,0]=3 1372 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,1,0|1,0,0]=3 1373 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,1,0|1,0,0]=3 1374 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,1,0|1,0,0]=3 1375 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,1,0|1,0,0]=3 1376 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,1,0|1,0,0]=3 1377 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,1,0|1,0,0]=3 1378 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,1,0|1,0,0]=3 1379 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,1,0|1,0,0]=3 1380 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,1,0|1,0,0]=3 1381 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,1,0|1,0,0]=3 1382 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,1,0|1,0,1]=4 1383 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,1,0|1,0,1]=4 1384 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,1,0|1,0,1]=4 1385 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,1,0|1,0,1]=4 1386 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,1,0|1,0,1]=4 1387 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,1,0|1,0,1]=4 1388 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,1,0,0,1,0|1,0,1]=4 1389 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,1,0|1,0,0]=3 1390 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,1,0|1,0,0]=3 1391 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,1,0|1,0,1]=4 1392 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,1,0,0,0,1|0,0,0]=2 1393 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,1,0,0,0,1|1,0,0]=3 1394 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,1,0,0,0,1|0,0,0]=2 1395 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,1,0,0,0,1|0,0,0]=2 1396 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,1,0,0,0,1|0,0,0]=2 1397 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,1,0,0,0,1|0,0,0]=2 1398 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,1,0,0,0,1|0,0,0]=2 1399 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,1,0,0,0,1|0,0,0]=2 1400 B11R0.109 N/C(=N\CCC(N)C(=O)O)/NO MCULE-3317847954 [0,1,0,0,0,1|1,0,0]=3 1401 B11R0.109 N/C(=N\O)/NCC[C@H](N)C(=O)O MCULE-6818477347 [0,1,0,0,0,1|1,0,0]=3 1402 B11R0.109 N=C(NO)NCCC(N)C(=O)O MCULE-1136835208 [0,1,0,0,0,1|1,0,0]=3 1403 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-1084312846 [0,1,0,0,0,1|1,0,0]=3 1404 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-4376787249 [0,1,0,0,0,1|1,0,0]=3 1405 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5014640829 [0,1,0,0,0,1|1,0,0]=3 1406 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5651762446 [0,1,0,0,0,1|1,0,0]=3 1407 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-6461612970 [0,1,0,0,0,1|1,0,0]=3 1408 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-9060251744 [0,1,0,0,0,1|1,0,0]=3 1409 B11R0.145 COC(=O)N(C)CCCC(=O)O MCULE-2774035598 [0,1,0,0,0,1|2,0,0]=4 1410 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,1,0,0,0,1|1,0,0]=3 1411 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,1,0,0,0,1|2,0,0]=4 1412 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,0,1|0,0,0]=2 1413 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,0,1|0,0,0]=2 1414 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,1,0,0,0,1|0,0,1]=3 1415 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,0,1|0,0,0]=2 1416 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,0,1|0,0,0]=2 1417 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,0,1|0,0,0]=2 1418 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,0,1|0,0,0]=2 1419 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,1,0,0,0,1|0,0,1]=3 1420 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,1,0,0,0,1|0,0,1]=3 1421 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,0,1|0,0,0]=2 1422 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,1,0,0,0,1|1,0,0]=3 1423 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,1,0,0,0,1|2,0,0]=4 1424 B11R0.318 NC(CC=CP(=O)(O)O)C(=O)O MCULE-8316215091 [0,1,0,0,0,1|1,0,1]=4 1425 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,0,1|1,0,0]=3 1426 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,1,0,0,0,1|1,0,1]=4 1427 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,1,0,0,0,1|1,0,0]=3 1428 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,0,1|1,0,0]=3 1429 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,1,0,0,0,1|1,0,0]=3 1430 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,0,1|1,0,0]=3 1431 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,0,1|1,0,0]=3 1432 B11R0.92 C[C@@H](OC(=O)CN)[C@H](N)C(=O)O MCULE-2577436454 [0,2,0,0,0,0|2,0,0]=4 1433 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,2,0,0,0,0|1,0,0]=3 1434 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O MCULE-3979704333 [0,2,0,0,0,0|2,0,0]=4 1435 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-3663360571 [0,2,0,0,0,0|2,0,0]=4 1436 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-4499625523 [0,2,0,0,0,0|2,0,0]=4 1437 B11R0.169 C=C(CC(F)(F)C(=O)O)C(=O)O MCULE-6251282874 [0,2,0,0,0,0|1,0,1]=4 1438 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,2,0,0,0,0|0,0,0]=2 1439 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,2,0,0,0,0|0,0,0]=2 1440 B11R0.201 COC(=O)CCC(C)(C)C(=O)O MCULE-8216672018 [0,2,0,0,0,0|1,0,0]=3 1441 B11R0.288 COC(=O)C(C)(C)CCC(=O)O MCULE-4045283037 [0,2,0,0,0,0|1,0,0]=3 1442 B11R0.371 CC[C@](N)(CCC(=O)O)C(=O)O MCULE-5000195468 [0,2,0,0,0,0|0,0,0]=2 1443 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,2,0,0,0,0|1,0,0]=3 1444 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,2,0,0,0,0|2,0,0]=4 1445 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,2,0,0,0,0|1,0,0]=3 1446 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,2,0,0,0,0|1,0,0]=3 1447 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5481835291 [0,2,0,0,0,0|0,0,0]=2 1448 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5766868801 [0,2,0,0,0,0|0,0,0]=2 1449 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4237495428 [0,2,0,0,0,0|0,0,0]=2 1450 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4946507428 [0,2,0,0,0,0|0,0,0]=2 1451 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-5731424801 [0,2,0,0,0,0|0,0,0]=2 1452 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-6354251285 [0,2,0,0,0,0|0,0,0]=2 1453 B11R0.120 C=C(CCC(=O)OC)C(=O)OC MCULE-2489405596 [0,2,0,0,0,0|1,0,1]=4 1454 B11R0.120 COC(=O)CCC(=O)C(=O)OC MCULE-4366685032 [0,2,0,0,0,0|1,0,1]=4 1455 B11R0.120 COC(=O)CCC(Br)C(=O)OC MCULE-4447535641 [0,2,0,0,0,0|1,0,0]=3 1456 B11R0.120 COC(=O)CCC(C)C(=O)OC MCULE-3821505391 [0,2,0,0,0,0|1,0,0]=3 1457 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-1062487923 [0,2,0,0,0,0|0,0,0]=2 1458 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-5522897343 [0,2,0,0,0,0|0,0,0]=2 1459 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-7739323862 [0,2,0,0,0,0|0,0,0]=2 1460 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-8126985577 [0,2,0,0,0,0|0,0,0]=2 1461 B11R0.120 COC(=O)CC[C@@H](C)C(=O)OC MCULE-2234361542 [0,2,0,0,0,0|1,0,0]=3 1462 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-3575816335 [0,2,0,0,0,0|0,0,0]=2 1463 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8268535901 [0,2,0,0,0,0|0,0,0]=2 1464 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8728274804 [0,2,0,0,0,0|0,0,0]=2 1465 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-9773820282 [0,2,0,0,0,0|0,0,0]=2 1466 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-6749008630 [0,2,0,0,0,0|1,0,0]=3 1467 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-7189187238 [0,2,0,0,0,0|1,0,0]=3 1468 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-8354376608 [0,2,0,0,0,0|1,0,0]=3 1469 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-9923578542 [0,2,0,0,0,0|1,0,0]=3 1470 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-1839997834 [0,2,0,0,0,0|0,0,0]=2 1471 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-5240302694 [0,2,0,0,0,0|0,0,0]=2 1472 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-6781902445 [0,2,0,0,0,0|0,0,0]=2 1473 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-7992732132 [0,2,0,0,0,0|0,0,0]=2 1474 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC MCULE-8679796118 [0,2,0,0,0,0|1,0,0]=3 1475 B11R0.120 COC(=O)CNC(C)C(=O)OC MCULE-5845951445 [0,2,0,0,0,0|2,0,0]=4 1476 B11R0.290 COC(=O)C(N)CCS(=O)(=O)C MCULE-5934025472 [0,2,0,0,0,0|1,0,1]=4 1477 B11R0.290 COC(=O)C(N)CCS(=O)(=O)C MCULE-9843278420 [0,2,0,0,0,0|1,0,1]=4 1478 B11R0.141 CCNC(=O)CCC(N)C(=O)O MCULE-6282658853 [0,2,0,0,0,0|1,0,0]=3 1479 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O MCULE-8097322594 [0,2,0,0,0,0|1,0,0]=3 1480 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-6143390139 [0,2,0,0,0,0|1,0,0]=3 1481 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-9231004806 [0,2,0,0,0,0|1,0,0]=3 1482 B11R0.141 CCOC(=O)CCC(N)C(=O)O MCULE-9823045547 [0,2,0,0,0,0|0,0,0]=2 1483 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O MCULE-8792343648 [0,2,0,0,0,0|0,0,0]=2 1484 B11R0.141 [C@@H](N)(CSC(=O)NCC)C(=O)O MCULE-7164915455 [0,2,0,0,0,0|2,0,0]=4 1485 B11R0.141 [C@H](N)(CCC(=O)OCC)C(=O)O MCULE-8568738055 [0,2,0,0,0,0|0,0,0]=2 1486 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O MCULE-7170091075 [0,2,0,0,0,0|1,0,1]=4 1487 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C MCULE-5205208596 [0,2,0,0,0,0|2,0,0]=4 1488 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [0,2,0,0,0,0|0,0,0]=2 1489 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [0,2,0,0,0,0|0,0,0]=2 1490 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [0,2,0,0,0,0|0,0,0]=2 1491 B11R0.28 CN(C)[C@@H](CCS(=O)C)C(=O)O MCULE-7722972802 [0,2,0,0,0,0|2,0,0]=4 1492 B11R0.28 CN(C)[C@H](CCC(=O)N)C(=O)O MCULE-2650965426 [0,2,0,0,0,0|1,0,0]=3 1493 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [0,2,0,0,0,0|0,0,0]=2 1494 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [0,2,0,0,0,0|2,0,0]=4 1495 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [0,2,0,0,0,0|2,0,0]=4 1496 B11R0.146 CCCC(CCC(=O)O)C(=O)C MCULE-2427095523 [0,2,0,0,0,0|2,0,0]=4 1497 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [0,2,0,0,0,0|0,0,0]=2 1498 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [0,2,0,0,0,0|1,0,0]=3 1499 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [0,2,0,0,0,0|1,0,0]=3 1500 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,2,0,0,0,0|0,0,0]=2 1501 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [1,0,0,1,0,0|2,0,0]=4 1502 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [1,0,0,1,0,0|2,0,0]=4 1503 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [1,0,0,1,0,0|2,0,0]=4 1504 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,1]=4 1505 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,1]=4 1506 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,1]=4 1507 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,1]=4 1508 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|1,0,1]=4 1509 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|1,0,1]=4 1510 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,1,0,0|1,0,1]=4 1511 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [1,0,0,1,0,0|2,0,0]=4 1512 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [1,0,0,1,0,0|2,0,0]=4 1513 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [1,0,0,1,0,0|2,0,0]=4 1514 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [1,0,0,1,0,0|2,0,0]=4 1515 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [1,0,0,1,0,0|2,0,0]=4 1516 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [1,0,0,1,0,0|2,0,0]=4 1517 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,1]=4 1518 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,1]=4 1519 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,1]=4 1520 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,1]=4 1521 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|1,0,1]=4 1522 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|1,0,1]=4 1523 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|1,0,1]=4 1524 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,1,0,0|1,0,1]=4 1525 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,1,0,0|1,0,1]=4 1526 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [1,0,0,1,0,0|2,0,0]=4 1527 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [1,0,0,1,0,0|2,0,0]=4 1528 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,1]=4 1529 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,1]=4 1530 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,1]=4 1531 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,1]=4 1532 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|1,0,1]=4 1533 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|1,0,1]=4 1534 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,1,0,0|1,0,1]=4 1535 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,1,0,0|1,0,1]=4 1536 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|1,0,0]=3 1537 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|1,0,0]=3 1538 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [1,0,0,1,0,0|2,0,0]=4 1539 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [1,0,0,1,0,0|2,0,0]=4 1540 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|1,0,1]=4 1541 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|1,0,1]=4 1542 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,0,0,1,0,0|1,0,1]=4 1543 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,0,0,1,0,0|1,0,1]=4 1544 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,0,0,1,0,0|1,0,1]=4 1545 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,0,0,1,0,0|1,0,1]=4 1546 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,0,0,1,0,0|1,0,1]=4 1547 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,0,0,1,0,0|1,0,1]=4 1548 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,0,0,1,0,0|1,0,1]=4 1549 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,0,0,1,0,0|1,0,1]=4 1550 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,0,0,1,0,0|1,0,1]=4 1551 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,0,0,1,0,0|1,0,1]=4 1552 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,0,0,1,0,0|1,0,1]=4 1553 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,0,0,1,0,0|1,0,1]=4 1554 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,0,0,1,0,0|1,0,1]=4 1555 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,0,0,1,0,0|1,0,1]=4 1556 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [1,0,0,1,0,0|1,0,0]=3 1557 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [1,0,0,1,0,0|1,0,0]=3 1558 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [1,0,0,1,0,0|1,0,0]=3 1559 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [1,0,0,1,0,0|1,0,1]=4 1560 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [1,0,0,1,0,0|1,1,0]=4 1561 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [1,0,0,1,0,0|1,0,1]=4 1562 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [1,0,0,1,0,0|1,0,1]=4 1563 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [1,0,0,1,0,0|1,0,1]=4 1564 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [1,0,0,1,0,0|1,1,0]=4 1565 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [1,0,0,1,0,0|1,1,0]=4 1566 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [1,0,0,1,0,0|1,0,1]=4 1567 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [1,0,0,1,0,0|1,0,1]=4 1568 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [1,0,0,1,0,0|1,0,1]=4 1569 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [1,0,0,1,0,0|1,0,1]=4 1570 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 1571 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|2,0,0]=4 1572 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|2,0,0]=4 1573 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|1,0,0]=3 1574 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [1,0,0,1,0,0|1,0,0]=3 1575 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|0,0,0]=2 1576 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|0,0,0]=2 1577 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [1,0,0,1,0,0|0,0,1]=3 1578 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|1,0,0]=3 1579 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|1,0,0]=3 1580 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|1,0,0]=3 1581 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|1,0,0]=3 1582 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|0,0,0]=2 1583 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|0,0,0]=2 1584 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [1,0,0,1,0,0|2,0,0]=4 1585 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|1,0,0]=3 1586 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|1,0,0]=3 1587 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|1,0,0]=3 1588 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|1,0,0]=3 1589 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|0,0,0]=2 1590 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|0,0,0]=2 1591 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|0,0,0]=2 1592 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [1,0,0,1,0,0|0,0,1]=3 1593 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [1,0,0,1,0,0|0,0,1]=3 1594 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [1,0,0,1,0,0|2,0,0]=4 1595 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|1,0,0]=3 1596 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|1,0,0]=3 1597 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|1,0,0]=3 1598 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|2,0,0]=4 1599 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|2,0,0]=4 1600 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|2,0,0]=4 1601 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|2,0,0]=4 1602 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|2,0,0]=4 1603 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|2,0,0]=4 1604 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|2,0,0]=4 1605 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|2,0,0]=4 1606 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|2,0,0]=4 1607 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|2,0,0]=4 1608 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 1609 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 1610 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 1611 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 1612 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|1,0,0]=3 1613 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [1,0,0,1,0,0|1,0,0]=3 1614 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|1,0,0]=3 1615 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [1,0,0,1,0,0|2,0,0]=4 1616 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|1,0,0]=3 1617 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|1,0,0]=3 1618 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|1,0,0]=3 1619 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|1,0,0]=3 1620 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [1,0,0,1,0,0|2,0,0]=4 1621 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [1,0,0,1,0,0|2,0,0]=4 1622 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|1,0,0]=3 1623 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|1,0,0]=3 1624 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [1,0,0,1,0,0|1,0,0]=3 1625 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [1,0,0,1,0,0|1,0,0]=3 1626 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|1,0,0]=3 1627 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|1,0,0]=3 1628 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [1,0,0,1,0,0|1,0,0]=3 1629 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|2,0,0]=4 1630 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [1,0,0,1,0,0|1,0,0]=3 1631 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [1,0,0,1,0,0|2,0,0]=4 1632 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [1,0,0,1,0,0|2,0,0]=4 1633 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [1,0,0,1,0,0|2,0,0]=4 1634 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [1,0,0,1,0,0|2,0,0]=4 1635 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [1,0,0,1,0,0|1,0,0]=3 1636 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [1,0,0,1,0,0|1,0,0]=3 1637 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [1,0,0,1,0,0|1,0,0]=3 1638 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [1,0,0,1,0,0|1,0,0]=3 1639 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [1,0,0,1,0,0|1,0,0]=3 1640 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [1,0,0,1,0,0|1,0,0]=3 1641 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [1,0,0,1,0,0|1,0,0]=3 1642 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [1,0,0,1,0,0|1,0,0]=3 1643 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [1,0,0,1,0,0|1,0,0]=3 1644 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [1,0,0,1,0,0|1,0,0]=3 1645 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [1,0,0,1,0,0|1,0,0]=3 1646 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [1,0,0,1,0,0|2,0,0]=4 1647 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [1,0,0,1,0,0|1,0,0]=3 1648 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [1,0,0,1,0,0|1,0,1]=4 1649 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [1,0,0,1,0,0|1,0,0]=3 1650 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [1,0,0,1,0,0|1,0,1]=4 1651 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [1,0,0,1,0,0|1,0,1]=4 1652 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [1,0,0,1,0,0|1,0,1]=4 1653 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [1,0,0,1,0,0|1,0,1]=4 1654 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [1,0,0,1,0,0|1,0,1]=4 1655 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [1,0,0,1,0,0|2,0,0]=4 1656 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [1,0,0,1,0,0|1,0,1]=4 1657 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [1,0,0,1,0,0|1,0,1]=4 1658 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [1,0,0,1,0,0|1,0,1]=4 1659 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [1,0,0,1,0,0|2,0,0]=4 1660 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [1,0,0,1,0,0|1,0,1]=4 1661 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [1,0,0,1,0,0|1,0,1]=4 1662 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [1,0,0,1,0,0|1,0,1]=4 1663 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [1,0,0,1,0,0|1,0,1]=4 1664 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [1,0,0,1,0,0|2,0,0]=4 1665 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [1,0,0,1,0,0|2,0,0]=4 1666 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [1,0,0,1,0,0|1,0,1]=4 1667 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [1,0,0,1,0,0|1,0,1]=4 1668 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [1,0,0,1,0,0|1,0,1]=4 1669 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [1,0,0,1,0,0|2,0,0]=4 1670 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [1,0,0,1,0,0|2,0,0]=4 1671 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [1,0,0,1,0,0|1,0,1]=4 1672 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [1,0,0,1,0,0|1,0,1]=4 1673 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [1,0,0,1,0,0|1,0,1]=4 1674 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [1,0,0,1,0,0|1,0,1]=4 1675 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [1,0,0,1,0,0|1,0,1]=4 1676 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [1,0,0,1,0,0|1,0,1]=4 1677 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [1,0,0,1,0,0|1,0,1]=4 1678 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [1,0,0,1,0,0|2,0,0]=4 1679 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [1,0,0,1,0,0|1,0,1]=4 1680 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [1,0,0,1,0,0|1,0,1]=4 1681 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [1,0,0,1,0,0|1,0,1]=4 1682 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [1,0,0,1,0,0|1,0,1]=4 1683 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [1,0,0,1,0,0|1,0,1]=4 1684 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [1,0,0,1,0,0|1,0,1]=4 1685 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [1,0,0,1,0,0|2,0,0]=4 1686 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [1,0,0,1,0,0|2,0,0]=4 1687 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [1,0,0,1,0,0|2,0,0]=4 1688 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [1,0,0,1,0,0|2,0,0]=4 1689 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [1,0,0,1,0,0|2,0,0]=4 1690 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [1,0,0,1,0,0|2,0,0]=4 1691 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [1,0,0,1,0,0|2,0,0]=4 1692 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [1,0,0,1,0,0|2,0,0]=4 1693 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [1,0,0,1,0,0|2,0,0]=4 1694 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [1,0,0,1,0,0|2,0,0]=4 1695 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [1,0,0,1,0,0|2,0,0]=4 1696 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [1,0,0,1,0,0|2,0,0]=4 1697 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [1,0,0,1,0,0|2,0,0]=4 1698 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [1,0,0,1,0,0|2,0,0]=4 1699 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [1,0,0,1,0,0|2,0,0]=4 1700 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [1,0,0,1,0,0|2,0,0]=4 1701 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [1,0,0,1,0,0|2,0,0]=4 1702 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [1,0,0,1,0,0|2,0,0]=4 1703 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [1,0,0,1,0,0|2,0,0]=4 1704 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [1,0,0,1,0,0|1,0,0]=3 1705 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [1,0,0,1,0,0|1,0,0]=3 1706 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|1,0,0]=3 1707 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|0,0,0]=2 1708 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [1,0,0,1,0,0|1,0,1]=4 1709 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|1,0,0]=3 1710 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|0,0,0]=2 1711 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|0,0,0]=2 1712 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|0,0,0]=2 1713 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|1,0,0]=3 1714 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|1,0,0]=3 1715 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|0,0,0]=2 1716 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|0,0,0]=2 1717 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [1,0,0,1,0,0|1,0,1]=4 1718 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|0,0,0]=2 1719 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|1,0,0]=3 1720 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [1,0,0,1,0,0|1,0,1]=4 1721 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,0,1,1,0|2,0,0]=4 1722 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,0,0,1,1,0|1,0,1]=4 1723 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,0,0,1,1,0|1,0,1]=4 1724 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,0,0,1,1,0|1,0,1]=4 1725 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,0,0,1,0,1|2,0,0]=4 1726 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,0,0,1,0,1|2,0,0]=4 1727 B11R1.75 O=C(O)CCC1=NC(=NN1)O MCULE-9401453115 [0,0,0,1,0,1|1,0,1]=4 1728 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,1|2,0,0]=4 1729 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,1,0,1|2,0,0]=4 1730 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,1,0,1|2,0,0]=4 1731 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,1,0,1|2,0,0]=4 1732 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 MCULE-2810155432 [0,0,0,1,0,1|1,0,1]=4 1733 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,1|1,0,0]=3 1734 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [0,0,0,1,0,1|2,0,0]=4 1735 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-5165144051 [0,0,0,1,0,1|1,0,1]=4 1736 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-9735389419 [0,0,0,1,0,1|1,0,1]=4 1737 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,0,0,1,0,1|2,0,0]=4 1738 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,0,0,1,0,1|2,0,0]=4 1739 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,0,1|2,0,0]=4 1740 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,0,1|2,0,0]=4 1741 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|1,0,0]=3 1742 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|1,0,0]=3 1743 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|1,0,0]=3 1744 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|0,0,0]=2 1745 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|0,0,0]=2 1746 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,1|1,0,0]=3 1747 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,1|1,0,0]=3 1748 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 1749 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 1750 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 1751 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 1752 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 1753 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,1|1,0,0]=3 1754 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,1|1,0,0]=3 1755 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,0,0,1,0,1|2,0,0]=4 1756 B11R1.565 O=C1CCC(CCN1)C(=O)O MCULE-3530109531 [0,0,0,1,0,1|2,0,0]=4 1757 B11R1.565 O=C1CCC(CCO1)C(=O)O MCULE-4871150325 [0,0,0,1,0,1|2,0,0]=4 1758 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,1,0,1|2,0,0]=4 1759 B11R1.667 CC1(CCNC(=O)C1)C(=O)O MCULE-9095450827 [0,0,0,1,0,1|2,0,0]=4 1760 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|0,0,0]=2 1761 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|0,0,0]=2 1762 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|0,0,0]=2 1763 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|0,0,0]=2 1764 B11R1.644 CC1(C[C@H](NC1=O)C(=O)O)C MCULE-2222423646 [0,1,0,1,0,0|2,0,0]=4 1765 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,1,0,1,0,0|2,0,0]=4 1766 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,1,0,1,0,0|2,0,0]=4 1767 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,1,0,1,0,0|2,0,0]=4 1768 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,1,0,1,0,0|2,0,0]=4 1769 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,1,0,1,0,0|2,0,0]=4 1770 B11R1.220 CC1(CCC(=O)CC1)C(=O)O MCULE-1572569153 [0,1,0,1,0,0|2,0,0]=4 1771 B11R1.220 CC1(CCC(=O)NC1)C(=O)O MCULE-2805915574 [0,1,0,1,0,0|2,0,0]=4 1772 B11R1.220 CC1(COC(=O)OC1)C(=O)O MCULE-9190689926 [0,1,0,1,0,0|2,0,0]=4 1773 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,1,0,0|1,0,0]=3 1774 B11R1.738 NC1(CCS(=O)(=O)C1)C(=O)O MCULE-4599248499 [0,1,0,1,0,0|1,0,1]=4 1775 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,1,0,1,0,0|0,0,0]=2 1776 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,1,0,1,0,0|0,0,0]=2 1777 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,1,0,1,0,0|0,0,0]=2 1778 B11R1.22 COC(=O)C1CCC(=O)CC1 MCULE-9783233720 [0,1,0,1,0,0|2,0,0]=4 1779 B11R1.22 COC(=O)C1CCC(=O)NC1 MCULE-4891190480 [0,1,0,1,0,0|2,0,0]=4 1780 B11R1.22 COC(=O)C1CCC(CN1)O MCULE-9174504804 [0,1,0,1,0,0|1,0,1]=4 1781 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-1207411341 [0,1,0,1,0,0|2,0,0]=4 1782 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-3150881124 [0,1,0,1,0,0|2,0,0]=4 1783 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-9361727201 [0,1,0,1,0,0|2,0,0]=4 1784 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 MCULE-3019174474 [0,1,0,1,0,0|2,0,0]=4 1785 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-1608906161 [0,1,0,1,0,0|1,0,1]=4 1786 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-7535687002 [0,1,0,1,0,0|1,0,1]=4 1787 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-7886608473 [0,1,0,1,0,0|1,0,1]=4 1788 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)O MCULE-1537696189 [0,1,0,1,0,0|1,0,1]=4 1789 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)O MCULE-3334344307 [0,1,0,1,0,0|1,0,1]=4 1790 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-1663377634 [0,1,0,1,0,0|2,0,0]=4 1791 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-5733180811 [0,1,0,1,0,0|2,0,0]=4 1792 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-7846998050 [0,1,0,1,0,0|2,0,0]=4 1793 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-8720511544 [0,1,0,1,0,0|2,0,0]=4 1794 B11R1.22 COC(=O)[C@H]1CC[C@@H](CN1)O MCULE-2977287737 [0,1,0,1,0,0|1,0,1]=4 1795 B11R1.22 COC(=O)[C@H]1CC[C@@H](CN1)O MCULE-3433906854 [0,1,0,1,0,0|1,0,1]=4 1796 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O MCULE-4862825259 [0,1,0,1,0,0|1,0,1]=4 1797 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O MCULE-8270495818 [0,1,0,1,0,0|1,0,1]=4 1798 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 MCULE-1475020895 [0,1,0,1,0,0|2,0,0]=4 1799 B11R1.48 CCN1CC(OC1=O)C(=O)O MCULE-4298274874 [0,1,0,1,0,0|2,0,0]=4 1800 B11R1.90 O=C(O)CCC1CCOC1=O MCULE-3104209963 [0,1,0,1,0,0|1,0,0]=3 1801 B11R1.90 O=C(O)CCN1CCOC1=O MCULE-5371089126 [0,1,0,1,0,0|2,0,0]=4 1802 B11R1.90 O=C(O)CSC1CCOC1=O MCULE-3303547942 [0,1,0,1,0,0|2,0,0]=4 1803 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-2958186568 [0,1,0,1,0,0|1,0,0]=3 1804 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-6300691450 [0,1,0,1,0,0|1,0,0]=3 1805 B11R1.853 COC(=O)C1CC(C1)C(=O)O MCULE-6425737082 [0,1,0,1,0,0|1,0,0]=3 1806 B11R1.853 COC(=O)[C@H]1C[C@@H](C1)C(=O)O MCULE-2129678369 [0,1,0,1,0,0|1,0,0]=3 1807 B11R1.853 COC(=O)[C@H]1C[C@H](C1)C(=O)O MCULE-9739121290 [0,1,0,1,0,0|1,0,0]=3 1808 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 MCULE-3078565580 [0,1,0,1,0,0|1,0,1]=4 1809 B11R1.885 COC(=O)C1(CCC(=O)C1)C MCULE-9354640301 [0,1,0,1,0,0|2,0,0]=4 1810 B11R1.885 COC(=O)C1(CCC(=O)N1)C MCULE-7284705870 [0,1,0,1,0,0|2,0,0]=4 1811 B11R1.226 COC(=O)[C@@H]1C[C@@H](C(=O)N1)O MCULE-1924620912 [0,1,0,1,0,0|2,0,0]=4 1812 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-6174114389 [0,1,0,1,0,0|2,0,0]=4 1813 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-7981334019 [0,1,0,1,0,0|2,0,0]=4 1814 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O MCULE-6058699096 [0,1,0,1,0,0|2,0,0]=4 1815 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,0,0,0,1,0|2,0,0]=4 1816 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,0,0,0,1,0|1,0,0]=3 1817 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,0,0,0,1,0|1,0,0]=3 1818 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,0,0,0,1,0|2,0,0]=4 1819 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,0,0,0,1,0|1,0,1]=4 1820 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,0,0,0,1,0|1,0,1]=4 1821 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,0,0,0,1,0|1,0,1]=4 1822 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,0,0,0,1,0|1,0,1]=4 1823 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,0,0,0,1,0|1,0,1]=4 1824 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,0,0,0,1,0|1,0,1]=4 1825 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,0,0,0,1,0|1,0,1]=4 1826 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,0,0,0,1,0|1,0,1]=4 1827 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,0,0,0,1,0|1,0,1]=4 1828 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,0,0,0,1,0|1,0,1]=4 1829 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,1,0|2,0,0]=4 1830 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,0,0,0,1,0|1,0,1]=4 1831 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,0,0,0,1,0|0,0,1]=3 1832 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,0,0,0,1,0|0,0,1]=3 1833 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,0,0,0,1,0|0,0,1]=3 1834 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,0,0,0,1,0|1,0,1]=4 1835 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,0,0,0,1,0|1,0,1]=4 1836 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,0,0,0,1,0|1,0,1]=4 1837 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,0,0,0,1,0|1,0,1]=4 1838 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,0,0,0,1,0|1,0,1]=4 1839 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,0,0,0,1,0|1,0,1]=4 1840 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,0,0,0,1,0|0,0,1]=3 1841 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,0,0,0,1,0|0,0,1]=3 1842 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,0,0,0,1,0|0,0,1]=3 1843 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,0,0,0,1,0|0,0,1]=3 1844 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,0,0,0,1,0|1,0,1]=4 1845 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,0,0,0,1,0|1,0,1]=4 1846 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,1,0|2,0,0]=4 1847 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,2,0|1,0,1]=4 1848 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,0,0,2,0|2,0,0]=4 1849 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,0,0,2,0|2,0,0]=4 1850 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,0,0,2,0|2,0,0]=4 1851 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,0,0,2,0|2,0,0]=4 1852 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,0,0,2,0|2,0,0]=4 1853 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,0,0,2,0|2,0,0]=4 1854 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,0,0,2,0|2,0,0]=4 1855 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,0,0,2,0|2,0,0]=4 1856 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,0,0,2,0|2,0,0]=4 1857 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,0,0,2,0|2,0,0]=4 1858 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,2,0|1,0,0]=3 1859 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,0,0,0,2,0|1,0,1]=4 1860 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,0,0,0,2,0|1,0,1]=4 1861 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,0,0,0,2,0|1,0,1]=4 1862 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,0,0,0,2,0|1,0,1]=4 1863 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,0,0,0,2,0|1,0,1]=4 1864 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,0,0,0,2,0|1,0,1]=4 1865 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,0,0,0,2,0|1,0,1]=4 1866 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,0,0,0,2,0|1,0,1]=4 1867 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,0,0,0,2,0|1,0,1]=4 1868 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,0,0,0,2,0|1,0,1]=4 1869 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,0,0,0,2,0|1,0,1]=4 1870 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,0,0,0,2,0|1,0,1]=4 1871 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,0,0,0,2,0|1,0,1]=4 1872 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,0,0,0,2,0|1,0,1]=4 1873 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,0,0,0,2,0|1,0,1]=4 1874 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,0,0,0,2,0|1,0,1]=4 1875 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,0,0,0,2,0|1,0,1]=4 1876 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,0,0,0,2,0|2,0,0]=4 1877 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,2,0|0,0,0]=2 1878 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,2,0|1,0,1]=4 1879 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,2,0|1,0,0]=3 1880 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,2,0|1,0,0]=3 1881 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,2,0|1,0,0]=3 1882 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,0,0,0,0,1|1,0,0]=3 1883 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,0,0,0,0,1|1,0,0]=3 1884 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [1,0,0,0,0,1|1,0,1]=4 1885 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [1,0,0,0,0,1|1,0,1]=4 1886 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [1,0,0,0,0,1|1,0,1]=4 1887 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [1,0,0,0,0,1|1,0,1]=4 1888 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [1,0,0,0,0,1|2,0,0]=4 1889 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [1,0,0,0,0,1|2,0,0]=4 1890 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [1,0,0,0,0,1|2,0,0]=4 1891 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [1,0,0,0,0,1|2,0,0]=4 1892 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [1,0,0,0,0,1|2,0,0]=4 1893 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [1,0,0,0,0,1|2,0,0]=4 1894 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [1,0,0,0,0,1|2,0,0]=4 1895 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [1,0,0,0,0,1|2,0,0]=4 1896 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [1,0,0,0,0,1|2,0,0]=4 1897 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [1,0,0,0,0,1|2,0,0]=4 1898 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [1,0,0,0,0,1|1,0,1]=4 1899 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [1,0,0,0,0,1|1,0,1]=4 1900 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [1,0,0,0,0,1|1,0,1]=4 1901 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [1,0,0,0,0,1|1,0,1]=4 1902 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [1,0,0,0,0,1|1,0,1]=4 1903 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [1,0,0,0,0,1|2,0,0]=4 1904 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,0,0,0,0,1|2,0,0]=4 1905 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [1,0,0,0,0,1|2,0,0]=4 1906 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,0,1|2,0,0]=4 1907 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,0,0,0,0,1|2,0,0]=4 1908 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,1|1,0,0]=3 1909 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,0,0,0,0,1|2,0,0]=4 1910 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,1|1,0,0]=3 1911 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,1|1,0,0]=3 1912 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,1|1,0,0]=3 1913 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [1,0,0,0,0,1|2,0,0]=4 1914 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [1,0,0,0,0,1|2,0,0]=4 1915 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,1|1,0,0]=3 1916 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [1,0,0,0,0,1|2,0,0]=4 1917 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [1,0,0,0,0,1|1,0,0]=3 1918 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,1|1,0,0]=3 1919 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [1,0,0,0,0,1|2,0,0]=4 1920 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,0,1|0,0,1]=3 1921 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [1,0,0,0,0,1|0,0,1]=3 1922 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,0,1|0,0,1]=3 1923 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [1,0,0,0,0,1|0,0,1]=3 1924 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,1|0,0,0]=2 1925 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,1|0,0,0]=2 1926 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,1|0,0,0]=2 1927 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,1|0,0,0]=2 1928 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,1|0,0,0]=2 1929 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [1,0,0,0,0,1|1,0,0]=3 1930 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [1,0,0,0,0,1|1,0,0]=3 1931 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [1,0,0,0,0,1|1,0,0]=3 1932 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,1|0,0,1]=3 1933 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,1|0,0,1]=3 1934 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,1|0,0,1]=3 1935 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [1,0,0,0,0,1|0,0,2]=4 1936 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [1,0,0,0,0,1|0,0,2]=4 1937 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,0,0,0,0,2|2,0,0]=4 1938 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,0,0,0,0,2|2,0,0]=4 1939 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,0,0,0,0,2|0,0,0]=2 1940 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,0,0,0,0,2|1,0,1]=4 1941 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,0,0,0,0,2|1,0,1]=4 1942 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,0,0,0,0,2|2,0,0]=4 1943 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,2|2,0,0]=4 1944 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,2|2,0,0]=4 1945 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,2|2,0,0]=4 1946 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,2|2,0,0]=4 1947 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,2|2,0,0]=4 1948 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,2|2,0,0]=4 1949 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,0,0,0,0,2|2,0,0]=4 1950 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,2|1,0,0]=3 1951 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,2|1,0,0]=3 1952 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,2|1,0,0]=3 1953 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,2|2,0,0]=4 1954 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,2|2,0,0]=4 1955 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,2|1,0,0]=3 1956 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,2|1,0,0]=3 1957 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,2|1,0,0]=3 1958 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,2|1,0,0]=3 1959 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,2|1,0,0]=3 1960 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,2|1,0,0]=3 1961 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,2|2,0,0]=4 1962 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,2|2,0,0]=4 1963 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,2|2,0,0]=4 1964 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,2|2,0,0]=4 1965 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,2|1,0,0]=3 1966 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,0,2|2,0,0]=4 1967 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,2|2,0,0]=4 1968 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,2|2,0,0]=4 1969 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,2|2,0,0]=4 1970 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,2|2,0,0]=4 1971 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,2|2,0,0]=4 1972 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,2|2,0,0]=4 1973 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,2|2,0,0]=4 1974 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,2|2,0,0]=4 1975 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,2|2,0,0]=4 1976 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,2|2,0,0]=4 1977 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,2|2,0,0]=4 1978 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,2|2,0,0]=4 1979 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,2|2,0,0]=4 1980 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,2|2,0,0]=4 1981 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,2|2,0,0]=4 1982 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,2|2,0,0]=4 1983 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,2|2,0,0]=4 1984 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,2|2,0,0]=4 1985 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,2|2,0,0]=4 1986 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,2|2,0,0]=4 1987 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,2|1,0,0]=3 1988 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,2|1,0,0]=3 1989 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,2|1,0,0]=3 1990 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,2|1,1,0]=4 1991 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,2|1,0,0]=3 1992 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,2|1,0,0]=3 1993 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,2|1,0,0]=3 1994 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,2|1,0,0]=3 1995 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,2|1,0,0]=3 1996 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,2|1,1,0]=4 1997 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,2|0,0,0]=2 1998 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,0,0,0,0,2|1,0,1]=4 1999 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,0,0,0,0,2|1,0,1]=4 2000 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,2|0,0,0]=2 2001 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,0,2|1,0,1]=4 2002 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,0,2|1,0,1]=4 2003 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,0,2|1,0,1]=4 2004 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,0,2|1,0,1]=4 2005 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,2|0,0,0]=2 2006 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,2|0,0,0]=2 2007 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,0,0,0,0,2|1,0,1]=4 2008 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,0,0,0,0,2|1,0,1]=4 2009 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,0,0,0,0,2|1,0,1]=4 2010 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,0,0,0,0,2|1,0,1]=4 2011 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,2|0,0,0]=2 2012 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,2|0,0,0]=2 2013 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,2|0,0,0]=2 2014 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,2|0,0,0]=2 2015 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,2|0,0,0]=2 2016 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,0,0,0,0,2|1,0,1]=4 2017 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,2|2,0,0]=4 2018 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,2|1,0,0]=3 2019 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,2|1,0,0]=3 2020 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,0,2|1,0,1]=4