0 B10R0.70 CC(=O)O[C@H](CBr)CC(=O)O MCULE-9706634607 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.70 CC(C)CC(CN)CC(=O)O MCULE-3978936660 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O MCULE-6777049998 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.70 CC(C)C[C@H](CN)CC(=O)O MCULE-4620415947 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.70 CC(C)C[C@H](CN)CC(=O)O MCULE-7020681779 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.70 CCC(CC(=O)O)CC(C)C MCULE-6944277794 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.14 CC(C)CC(CN)CCO MCULE-5782269030 [1,0,0,0,0,0|0,0,1]=2 8 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.14 CCCC(CC)OC(=O)Cl MCULE-1870486997 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.53 C=C(C)CC(C)CC(C)C MCULE-4505551323 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.53 CC(=O)CC(=NC(C)C)C MCULE-7568775053 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.53 CC(=O)CC(=O)CC(C)C MCULE-2279264895 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.53 CC(=O)NC(C)OC(C)C MCULE-6295741916 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [1,0,0,0,0,0|0,0,0]=1 19 B9R0.53 CC(C)CC(C)CC(C)O MCULE-3603844824 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [1,0,0,0,0,0|0,0,0]=1 22 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [1,0,0,0,0,0|0,0,0]=1 23 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.53 CC(C)CC(N)CC(C)C MCULE-1554135812 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.53 CC(C)CC(N)CC(C)C MCULE-7379412957 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.53 CC(C)CC(N)CN(C)C MCULE-2167092761 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [1,0,0,0,0,0|1,0,0]=2 28 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [1,0,0,0,0,0|0,0,0]=1 29 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [1,0,0,0,0,0|0,0,0]=1 30 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [1,0,0,0,0,0|0,0,0]=1 31 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [1,0,0,0,0,0|0,0,0]=1 32 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [1,0,0,0,0,0|0,0,0]=1 33 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [1,0,0,0,0,0|0,0,0]=1 34 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [1,0,0,0,0,0|0,0,0]=1 35 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [1,0,0,0,0,0|0,0,0]=1 36 B9R0.53 CC(C)C[C@H](N)CN(C)C MCULE-2261570861 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.53 CC(C)NC(=O)CC(=O)O MCULE-6733291485 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.53 CC(C)OC(=O)CC(=O)O MCULE-9720330421 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,0|2,0,1]=4 43 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)N MCULE-8777964324 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-4463344668 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-7246349713 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [0,1,0,0,0,0|1,0,1]=3 47 B11R0.32 CN(C)CC(CC(=O)O)C(F)F MCULE-2514473971 [0,1,0,0,0,0|2,0,0]=3 48 B11R0.32 CN(C)CC(CC(=O)O)C(F)F MCULE-3433740788 [0,1,0,0,0,0|2,0,0]=3 49 B11R0.91 CCC(C)CC(CC)OC(=O)C MCULE-3584382922 [0,1,0,0,0,0|3,0,0]=4 50 B11R0.91 COC(=O)CC(CN)CC(C)C MCULE-9039492447 [0,1,0,0,0,0|0,0,0]=1 51 B11R0.91 COC(=O)CC(CN)CC(C)C MCULE-9506856676 [0,1,0,0,0,0|0,0,0]=1 52 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C MCULE-3887221021 [0,1,0,0,0,0|0,0,0]=1 53 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C MCULE-8441432088 [0,1,0,0,0,0|0,0,0]=1 54 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C MCULE-8576771047 [0,1,0,0,0,0|0,0,0]=1 55 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C MCULE-9687288526 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,0,0,1,0,0|3,0,0]=4 57 B11R1.157 CC(C)CC1CCCC(=O)C1 MCULE-5163692856 [0,0,0,1,0,0|2,0,0]=3 58 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,0,1,0,0|1,0,0]=2 59 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-6740436113 [0,0,0,1,0,0|2,0,0]=3 60 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-8756904184 [0,0,0,1,0,0|2,0,0]=3 61 B11R1.157 CC1CCNC(C1)CC(=O)O MCULE-5716034877 [0,0,0,1,0,0|2,0,0]=3 62 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-1750389348 [0,0,0,1,0,0|0,0,0]=1 63 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-3483420567 [0,0,0,1,0,0|0,0,0]=1 64 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,0,0,1,0,0|2,0,0]=3 65 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,0,0,1,0,0|2,0,0]=3 66 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-1365112311 [0,0,0,1,0,0|3,0,0]=4 67 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-9509541900 [0,0,0,1,0,0|3,0,0]=4 68 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,0|2,0,1]=4 69 B11R1.157 O=C(O)CN1CCCC(C1)Br MCULE-2565385665 [0,0,0,1,0,0|3,0,0]=4 70 B11R1.157 O=C(O)CN1CCCC(C1)Cl MCULE-9457969876 [0,0,0,1,0,0|3,0,0]=4 71 B11R1.157 O=C(O)CN1CCCC(C1)I MCULE-1878633684 [0,0,0,1,0,0|3,0,0]=4 72 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,0|3,0,0]=4 73 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,0|3,0,0]=4 74 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,0|3,0,0]=4 75 B11R1.645 CC(C)CC1CC(=O)OC1=O MCULE-5567066644 [0,0,0,1,0,0|1,0,1]=3 76 B11R1.645 CC(C)CC1NC(=O)OC1=O MCULE-8696693536 [0,0,0,1,0,0|2,0,1]=4 77 B11R1.645 CC(C)CC1NC(=O)OC1=O MCULE-8963719126 [0,0,0,1,0,0|2,0,1]=4 78 B11R1.645 CC(C)CN1CC(=O)OC1=O MCULE-5405130720 [0,0,0,1,0,0|2,0,1]=4 79 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O MCULE-9502934212 [0,0,0,1,0,0|2,0,1]=4 80 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O MCULE-9790249425 [0,0,0,1,0,0|2,0,1]=4 81 B11R1.710 CC1(CC(CO1)CC(=O)O)C MCULE-7603770062 [0,0,0,1,0,0|1,0,0]=2 82 B11R1.710 CC1(CCN(C1)CC(=O)O)C MCULE-1947303701 [0,0,0,1,0,0|2,0,0]=3 83 B11R1.710 CC1(CCN(C1)CC(=O)O)C MCULE-3478403943 [0,0,0,1,0,0|2,0,0]=3 84 B11R1.710 CC1(COC(C1)CC(=O)O)C MCULE-9149987188 [0,0,0,1,0,0|2,0,0]=3 85 B11R1.710 O=C(O)CC1CCC(C1)(F)F MCULE-3568136562 [0,0,0,1,0,0|3,0,0]=4 86 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [0,0,0,0,1,0|0,0,2]=3 87 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,0,0,0,1,0|0,0,0]=1 88 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,0,0,0,1,0|0,0,0]=1 89 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,0,0,0,1,0|0,0,0]=1 90 B9R0.39 CC(C)CC(CN)N(C)C MCULE-8426274390 [0,0,0,0,1,0|3,0,0]=4 91 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,0,0,0,1,0|0,0,0]=1 92 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,0,0,0,1,0|0,0,0]=1 93 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,0,0,0,1,0|0,0,0]=1 94 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,0,0,0,1,0|0,0,0]=1 95 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,0,0,0,1,0|1,0,0]=2 96 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,0,0,0,1,0|0,0,0]=1 97 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,0,0,0,1,0|0,0,0]=1 98 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,0,0,0,1,0|0,0,0]=1 99 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,0,0,0,1,0|0,0,0]=1 100 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,0,0,0,1,0|1,0,0]=2 101 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,0,0,0,1,0|1,0,0]=2 102 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,0,0,0,1,0|1,0,0]=2 103 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [0,0,0,0,1,0|3,0,0]=4 104 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,0,0,0,1,0|2,0,0]=3 105 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,0,0,0,1,0|2,0,0]=3 106 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,0,0,0,1,0|1,0,0]=2 107 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,0,0,0,1,0|2,0,0]=3 108 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,0,0,0,1,0|2,0,0]=3 109 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-7907533997 [0,0,0,0,1,0|3,0,0]=4 110 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-8591020499 [0,0,0,0,1,0|3,0,0]=4 111 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,0,0,0,1,0|2,0,0]=3 112 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,0,0,0,1,0|2,0,0]=3 113 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,0,0,0,1,0|2,0,0]=3 114 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,0,0,0,1,0|2,0,0]=3 115 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,0,0,0,1,0|2,0,0]=3 116 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,0,0,0,1,0|2,0,0]=3 117 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,0,0,0,1,0|2,0,0]=3 118 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,0,0,0,1,0|2,0,0]=3 119 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [0,0,0,0,1,0|2,0,0]=3 120 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,0,0,0,1,0|2,0,1]=4 121 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,0,0,0,1,0|2,0,1]=4 122 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-2405781497 [0,0,0,0,1,0|2,0,0]=3 123 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-7311956768 [0,0,0,0,1,0|2,0,0]=3 124 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [2,0,0,0,0,0|0,0,2]=4 125 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [2,0,0,0,0,0|0,0,2]=4 126 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [2,0,0,0,0,0|0,0,2]=4 127 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [2,0,0,0,0,0|0,0,2]=4 128 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [2,0,0,0,0,0|0,0,2]=4 129 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [2,0,0,0,0,0|0,0,2]=4 130 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [2,0,0,0,0,0|0,0,2]=4 131 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [2,0,0,0,0,0|0,0,2]=4 132 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [2,0,0,0,0,0|0,0,2]=4 133 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [2,0,0,0,0,0|0,0,2]=4 134 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [2,0,0,0,0,0|0,0,2]=4 136 B8R0.5 C=CCC(C)CC(C)C MCULE-8816279401 [2,0,0,0,0,0|1,0,0]=3 137 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [2,0,0,0,0,0|0,0,2]=4 138 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [2,0,0,0,0,0|0,0,2]=4 139 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [2,0,0,0,0,0|0,0,2]=4 141 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [2,0,0,0,0,0|0,0,2]=4 142 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [2,0,0,0,0,0|0,0,2]=4 143 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [2,0,0,0,0,0|0,0,2]=4 144 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [2,0,0,0,0,0|0,0,2]=4 145 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [2,0,0,0,0,0|0,0,2]=4 146 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [2,0,0,0,0,0|0,0,2]=4 147 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [2,0,0,0,0,0|0,0,2]=4 148 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [2,0,0,0,0,0|0,0,2]=4 149 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [2,0,0,0,0,0|0,0,2]=4 150 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [2,0,0,0,0,0|0,0,1]=3 151 B8R0.5 CC(C)CC(N)CCO MCULE-3556995407 [2,0,0,0,0,0|0,0,1]=3 152 B8R0.5 CC(C)C[C@H](N)CCO MCULE-8336727873 [2,0,0,0,0,0|0,0,1]=3 153 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [2,0,0,0,0,0|0,0,2]=4 154 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [2,0,0,0,0,0|0,0,2]=4 155 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [2,0,0,0,0,0|1,0,1]=4 156 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [2,0,0,0,0,0|1,0,0]=3 157 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [2,0,0,0,0,0|0,0,0]=2 158 B8R0.5 CCCC(C)CC(C)C MCULE-4080546731 [2,0,0,0,0,0|1,0,1]=4 159 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [2,0,0,0,0,0|1,0,1]=4 160 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [2,0,0,0,0,0|2,0,0]=4 161 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [2,0,0,0,0,0|2,0,0]=4 162 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [2,0,0,0,0,0|2,0,0]=4 163 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [2,0,0,0,0,0|0,0,0]=2 164 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [2,0,0,0,0,0|0,0,0]=2 165 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [2,0,0,0,0,0|0,0,0]=2 166 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [2,0,0,0,0,0|0,0,0]=2 167 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [2,0,0,0,0,0|1,0,0]=3 168 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [2,0,0,0,0,0|1,0,0]=3 169 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [2,0,0,0,0,0|1,0,0]=3 170 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [2,0,0,0,0,0|2,0,0]=4 171 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [2,0,0,0,0,0|0,0,0]=2 172 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [2,0,0,0,0,0|0,0,0]=2 173 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [2,0,0,0,0,0|0,0,0]=2 174 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [2,0,0,0,0,0|0,0,0]=2 175 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [2,0,0,0,0,0|0,0,0]=2 176 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [2,0,0,0,0,0|1,0,0]=3 177 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [2,0,0,0,0,0|1,0,0]=3 178 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [2,0,0,0,0,0|1,0,0]=3 179 B8R0.5 CN(C)CC(N)CCO MCULE-6705437586 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [2,0,0,0,0,0|2,0,0]=4 181 B8R0.5 CNCC(N)CC(C)C MCULE-2079953825 [2,0,0,0,0,0|2,0,0]=4 182 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [2,0,0,0,0,0|2,0,0]=4 183 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [2,0,0,0,0,0|2,0,0]=4 184 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [2,0,0,0,0,0|1,0,0]=3 185 B8R0.5 COC[C@H](N)CC(C)C MCULE-2740362594 [2,0,0,0,0,0|2,0,0]=4 186 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [2,0,0,0,0,0|2,0,0]=4 187 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [2,0,0,0,0,0|2,0,0]=4 188 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [2,0,0,0,0,0|1,0,1]=4 189 B8R0.16 CC(C)CC(CN)CO MCULE-7916297233 [2,0,0,0,0,0|0,0,0]=2 190 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [2,0,0,0,0,0|2,0,0]=4 191 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [2,0,0,0,0,0|2,0,0]=4 192 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [2,0,0,0,0,0|2,0,0]=4 193 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [2,0,0,0,0,0|2,0,0]=4 194 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [2,0,0,0,0,0|1,0,0]=3 195 B8R0.16 CCC(CO)CC(C)C MCULE-9608291376 [2,0,0,0,0,0|1,0,0]=3 196 B8R0.16 CCC(CO)NC(C)C MCULE-8292737377 [2,0,0,0,0,0|2,0,0]=4 197 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [2,0,0,0,0,0|2,0,0]=4 198 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [2,0,0,0,0,0|2,0,0]=4 199 B8R0.16 CN(C)CC(CN)CN MCULE-6683663254 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.16 CN(C)CC(CN)CN MCULE-7442988533 [2,0,0,0,0,0|2,0,0]=4 201 B8R0.16 CN[C@H](CO)CC(C)C MCULE-6658701824 [2,0,0,0,0,0|2,0,0]=4 202 B8R0.16 COC(C=O)CC(C)C MCULE-3050869989 [2,0,0,0,0,0|2,0,0]=4 203 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [2,0,0,0,0,0|1,0,0]=3 204 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [2,0,0,0,0,0|1,0,0]=3 205 B8R0.16 COC(CN)CC(C)C MCULE-1093186897 [2,0,0,0,0,0|1,0,1]=4 206 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [2,0,0,0,0,0|1,0,0]=3 207 B8R0.22 CCCC(CN)CCO MCULE-4682534414 [2,0,0,0,0,0|0,0,1]=3 208 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [2,0,0,0,0,0|0,0,2]=4 209 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [2,0,0,0,0,0|2,0,0]=4 210 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [2,0,0,0,0,0|0,0,2]=4 211 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [2,0,0,0,0,0|1,0,0]=3 213 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [2,0,0,0,0,0|2,0,0]=4 214 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [2,0,0,0,0,0|2,0,0]=4 215 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [2,0,0,0,0,0|2,0,0]=4 216 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [2,0,0,0,0,0|2,0,0]=4 217 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [2,0,0,0,0,0|2,0,0]=4 220 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [2,0,0,0,0,0|0,0,2]=4 221 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [2,0,0,0,0,0|0,0,2]=4 222 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [2,0,0,0,0,0|0,0,2]=4 223 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [2,0,0,0,0,0|0,0,0]=2 224 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [2,0,0,0,0,0|1,0,1]=4 225 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [2,0,0,0,0,0|1,0,1]=4 226 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [2,0,0,0,0,0|2,0,0]=4 229 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [2,0,0,0,0,0|2,0,0]=4 230 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [2,0,0,0,0,0|1,0,0]=3 231 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [2,0,0,0,0,0|1,0,0]=3 232 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [2,0,0,0,0,0|2,0,0]=4 233 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [2,0,0,0,0,0|1,0,0]=3 234 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [2,0,0,0,0,0|1,0,0]=3 235 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [2,0,0,0,0,0|1,0,0]=3 237 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [2,0,0,0,0,0|1,0,0]=3 238 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [2,0,0,0,0,0|1,0,0]=3 239 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [2,0,0,0,0,0|1,0,0]=3 240 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [2,0,0,0,0,0|2,0,0]=4 241 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [2,0,0,0,0,0|1,0,0]=3 242 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [2,0,0,0,0,0|2,0,0]=4 244 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [2,0,0,0,0,0|2,0,0]=4 245 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [2,0,0,0,0,0|1,0,0]=3 246 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [2,0,0,0,0,0|1,0,0]=3 247 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [2,0,0,0,0,0|2,0,0]=4 248 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [1,1,0,0,0,0|1,0,1]=4 249 B10R0.29 CCCC(CC)CC(=O)OC MCULE-4866727110 [1,1,0,0,0,0|1,0,0]=3 250 B10R0.29 COC(C)CC(CC=O)OC MCULE-7497266382 [1,1,0,0,0,0|2,0,0]=4 251 B10R0.79 CCCC(CCC)CC(=O)O MCULE-8562449211 [1,1,0,0,0,0|1,0,0]=3 252 B10R0.79 CCCN(CCC)CC(=O)O MCULE-8482027545 [1,1,0,0,0,0|2,0,0]=4 253 B10R0.79 CCOC(CC(=O)O)OCC MCULE-4143416804 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.87 CCCCC(CC)CC(=O)C MCULE-4325342616 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [1,1,0,0,0,0|1,0,0]=3 256 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [1,1,0,0,0,0|1,0,1]=4 257 B10R0.13 CC(C)C(=O)N(C)CC(=O)O MCULE-5228570863 [1,1,0,0,0,0|1,0,1]=4 258 B10R0.13 CC(C)CC(N)C(O)C(=O)O MCULE-9980432688 [1,1,0,0,0,0|0,0,0]=2 259 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-3791004089 [1,1,0,0,0,0|0,0,0]=2 260 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-4811723103 [1,1,0,0,0,0|0,0,0]=2 261 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-4375883872 [1,1,0,0,0,0|0,0,0]=2 262 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-9315705992 [1,1,0,0,0,0|0,0,0]=2 263 B10R0.31 C(O)(CC(=O)O)C[N+](C)(C)C MCULE-1943868159 [1,1,0,0,0,0|2,0,0]=4 264 B10R0.31 CC(=O)CC(C)CC(C)(C)C MCULE-9082084348 [1,1,0,0,0,0|1,0,0]=3 265 B10R0.31 CC(=O)OC(C)CC(C)(C)O MCULE-3366827005 [1,1,0,0,0,0|2,0,0]=4 266 B10R0.31 CC(C)(C)CC(N)CC(=O)O MCULE-6200056500 [1,1,0,0,0,0|0,0,0]=2 267 B10R0.31 CC(C)(C)CC(N)CC(=O)O MCULE-8474644246 [1,1,0,0,0,0|0,0,0]=2 268 B10R0.31 CC(C)(C)CC(O)CC(=O)O MCULE-2681590744 [1,1,0,0,0,0|1,0,0]=3 269 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O MCULE-4145699901 [1,1,0,0,0,0|0,0,0]=2 270 B10R0.31 CC(C)CC(C)CS(=O)(=O)Cl MCULE-8577654211 [1,1,0,0,0,0|1,0,1]=4 271 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C MCULE-1318704435 [1,1,0,0,0,0|1,0,0]=3 272 B10R0.31 CC(CC(=O)N)CC(C)(C)C MCULE-2949303662 [1,1,0,0,0,0|1,0,0]=3 273 B10R0.31 CC(CC(=O)O)CC(C)(C)C MCULE-6835808948 [1,1,0,0,0,0|0,0,0]=2 274 B10R0.31 CN(CC(=O)O)CC(C)(C)C MCULE-2314044769 [1,1,0,0,0,0|1,0,0]=3 275 B10R0.31 CN(CC(=O)O)CC(C)(C)C MCULE-2348805903 [1,1,0,0,0,0|1,0,0]=3 276 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O MCULE-9799777407 [1,1,0,0,0,0|2,0,0]=4 277 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O MCULE-6301932098 [1,1,0,0,0,0|2,0,0]=4 278 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O MCULE-6758278502 [1,1,0,0,0,0|2,0,0]=4 279 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] MCULE-3388545789 [1,1,0,0,0,0|1,0,1]=4 280 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] MCULE-6702045523 [1,1,0,0,0,0|1,0,1]=4 281 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-4113750610 [1,1,0,0,0,0|2,0,0]=4 282 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-4318855847 [1,1,0,0,0,0|2,0,0]=4 283 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-5320163057 [1,1,0,0,0,0|2,0,0]=4 284 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-6774081051 [1,1,0,0,0,0|2,0,0]=4 285 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-7974436035 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-8897088367 [1,1,0,0,0,0|2,0,0]=4 287 B10R0.44 CCC(C)CC(=CC(=O)O)C MCULE-1620434072 [1,1,0,0,0,0|0,0,2]=4 288 B10R0.44 CNC(=O)C[C@@H](N)CC(C)C MCULE-2828993243 [1,1,0,0,0,0|1,0,0]=3 289 B10R0.44 CNC(=O)C[C@@H](N)CC(C)C MCULE-7449362573 [1,1,0,0,0,0|1,0,0]=3 290 B10R0.44 COC(=O)CC(=O)CC(C)C MCULE-9202502833 [1,1,0,0,0,0|1,0,1]=4 291 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [1,1,0,0,0,0|1,0,1]=4 292 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [1,1,0,0,0,0|1,0,1]=4 293 B10R0.44 COC(=O)CC(N)CC(C)C MCULE-7358218864 [1,1,0,0,0,0|0,0,0]=2 294 B10R0.44 COC(=O)C[C@@H](N)CC(C)C MCULE-1758589765 [1,1,0,0,0,0|0,0,0]=2 295 B10R0.44 COC(=O)C[C@@H](N)CC(C)C MCULE-3189742709 [1,1,0,0,0,0|0,0,0]=2 296 B10R0.44 COC(=O)C[C@@H](N)CC(C)C MCULE-8799341275 [1,1,0,0,0,0|0,0,0]=2 297 B10R0.44 COC(=O)C[C@@H](N)CC(C)C MCULE-9308599555 [1,1,0,0,0,0|0,0,0]=2 298 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [1,1,0,0,0,0|1,0,1]=4 299 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [1,1,0,0,0,0|1,0,1]=4 300 B10R0.165 CC(=O)CC(C)(C)CC(=O)O MCULE-4874610800 [1,1,0,0,0,0|1,0,1]=4 301 B10R0.165 CC(C)(CC(=O)O)CC(F)F MCULE-2986569023 [1,1,0,0,0,0|2,0,0]=4 302 B10R0.165 CC(C)CS(=O)(=O)CC(=O)O MCULE-6354013920 [1,1,0,0,0,0|2,0,0]=4 303 B10R0.165 CN(C)CC(C)(C)CC(=O)O MCULE-6420686282 [1,1,0,0,0,0|1,0,0]=3 304 B10R0.95 CCC(CC(C)(C)C)C(=O)O MCULE-7241334010 [0,1,0,0,1,0|1,0,0]=3 305 B10R0.95 CNC(CC(C)(C)C)C(=O)O MCULE-4693699304 [0,1,0,0,1,0|2,0,0]=4 306 B10R0.95 CNC(CC(C)(C)F)C(=O)O MCULE-5096286175 [0,1,0,0,1,0|2,0,0]=4 307 B10R0.119 CC(C)CC(C)(CN)C(=O)O MCULE-4889115578 [0,1,0,0,1,0|0,0,0]=2 308 B10R0.119 CC(C)CC(C)(CN)C(=O)O MCULE-7111781517 [0,1,0,0,1,0|0,0,0]=2 309 B10R0.119 CC(C)CC(N)(CO)C(=O)O MCULE-4659989671 [0,1,0,0,1,0|1,0,0]=3 310 B10R0.119 CC(CN)(CC(=O)O)C(F)F MCULE-4599523007 [0,1,0,0,1,0|2,0,0]=4 311 B10R0.119 CC(CN)(CC(=O)O)C(F)F MCULE-5852303175 [0,1,0,0,1,0|2,0,0]=4 312 B10R0.138 CC(C)(C)C(CN)CC(=O)O MCULE-5946655513 [0,1,0,0,1,0|0,0,0]=2 313 B10R0.138 CC(C)(C)C(CN)CC(=O)O MCULE-8312698768 [0,1,0,0,1,0|0,0,0]=2 314 B10R0.138 CCC(CC(=O)O)C(C)(C)C MCULE-1958146980 [0,1,0,0,1,0|1,0,0]=3 315 B10R0.138 NCC(CC(=O)O)C(F)(F)F MCULE-4314150395 [0,1,0,0,1,0|2,0,0]=4 316 B10R0.138 NCC(CC(=O)O)C(F)(F)F MCULE-4948549810 [0,1,0,0,1,0|2,0,0]=4 317 B10R0.162 CC(=O)C(CC(C)C)C(=O)O MCULE-5706548618 [0,1,0,0,1,0|1,0,1]=4 318 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,1,0,0,1,0|1,0,1]=4 319 B10R0.162 CC(C)CC(C(=O)N)C(=O)O MCULE-7858328809 [0,1,0,0,1,0|0,0,1]=3 320 B10R0.162 CC(C)CC(C(=O)O)C(=O)O MCULE-6373522873 [0,1,0,0,1,0|1,0,1]=4 321 B10R0.162 CC(C)CC(C(=O)O)C(C)C MCULE-4248316159 [0,1,0,0,1,0|1,0,0]=3 322 B10R0.162 CC(C)CC(C(=O)O)N(C)C MCULE-8621033381 [0,1,0,0,1,0|2,0,0]=4 323 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-1873302176 [0,1,0,0,1,0|2,0,0]=4 324 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-3984621368 [0,1,0,0,1,0|2,0,0]=4 325 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-9030900716 [0,1,0,0,1,0|2,0,0]=4 326 B10R0.162 CC(C)C[C@H](C(=O)O)N(C)C MCULE-9275409593 [0,1,0,0,1,0|2,0,0]=4 327 B10R0.162 CC(C)N(CC(=O)O)C(C)C MCULE-2844080296 [0,1,0,0,1,0|2,0,0]=4 328 B10R0.162 CC(C)N(CC(=O)O)C(C)C MCULE-7135853879 [0,1,0,0,1,0|2,0,0]=4 329 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-3597742159 [0,1,0,0,1,0|2,0,0]=4 330 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-7004359902 [0,1,0,0,1,0|2,0,0]=4 331 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O MCULE-5689039654 [0,1,0,0,0,1|1,0,1]=4 332 B12R0.138 CC(C)CSC(CC(=O)O)C(=O)O MCULE-5025540855 [0,1,0,0,0,1|1,0,1]=4 333 B12R0.180 COC(=O)[C@@H](CC(=O)O)CC(C)C MCULE-3442621690 [0,2,0,0,0,0|1,0,1]=4 334 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O MCULE-9332320504 [0,2,0,0,0,0|1,0,1]=4 335 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-4379796345 [0,2,0,0,0,0|0,0,0]=2 336 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-6251806077 [0,2,0,0,0,0|0,0,0]=2 337 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O MCULE-7888882967 [0,2,0,0,0,0|1,0,0]=3 338 B12R0.41 CC(C)CC(CC(=O)O)CN(=O)=O MCULE-3064354833 [0,2,0,0,0,0|0,0,1]=3 339 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-6717622510 [0,2,0,0,0,0|0,0,0]=2 340 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-7836724145 [0,2,0,0,0,0|0,0,0]=2 341 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-2691588542 [0,2,0,0,0,0|0,0,0]=2 342 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-6532551802 [0,2,0,0,0,0|0,0,0]=2 343 B12R0.18 CCOC(=O)C[C@@H](C#N)CC(C)C MCULE-2942417804 [0,2,0,0,0,0|0,0,2]=4 344 B12R0.18 CCOC(=O)C[C@@H](C#N)CC(C)C MCULE-9435742864 [0,2,0,0,0,0|0,0,2]=4 345 B12R0.18 CCOC(=O)C[C@@H](CN)CC(C)C MCULE-3878827001 [0,2,0,0,0,0|0,0,0]=2 346 B12R0.18 CCOC(=O)C[C@@H](CN)CC(C)C MCULE-9543563614 [0,2,0,0,0,0|0,0,0]=2 347 B12R0.18 CCOC(=O)NC(CN)CC(C)C MCULE-7319006177 [0,2,0,0,0,0|1,0,0]=3 348 B10R1.8 CC1CC(CC(=O)N1)CN MCULE-4583006616 [1,0,0,1,0,0|1,0,0]=3 349 B10R1.8 CC1CC(CC(=O)N1)CN MCULE-5588706286 [1,0,0,1,0,0|1,0,0]=3 350 B10R1.8 CC1CC(CC(C1)CN)C MCULE-8547220823 [1,0,0,1,0,0|1,0,1]=4 351 B10R1.8 CC1CC(CC(O1)C)CN MCULE-1319687929 [1,0,0,1,0,0|1,0,1]=4 352 B10R1.10 CC1CCCC(C1)CCO MCULE-3392494912 [1,0,0,1,0,0|1,0,1]=4 353 B10R1.10 CCCC1CCCC(=O)C1 MCULE-7668769463 [1,0,0,1,0,0|2,0,0]=4 354 B10R1.10 CCCC1CCNC(=O)C1 MCULE-2999950135 [1,0,0,1,0,0|2,0,0]=4 355 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [1,0,0,1,0,0|2,0,0]=4 356 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [1,0,0,1,0,0|2,0,0]=4 357 B10R1.18 CC(=O)NC1CCCNC1 MCULE-2923451430 [1,0,0,1,0,0|2,0,0]=4 358 B10R1.18 CC(=O)NC1CCCNC1 MCULE-7850537912 [1,0,0,1,0,0|2,0,0]=4 359 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-3102769783 [1,0,0,1,0,0|2,0,0]=4 360 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-4313494103 [1,0,0,1,0,0|2,0,0]=4 361 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-1582624021 [1,0,0,1,0,0|2,0,0]=4 362 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-7588247669 [1,0,0,1,0,0|2,0,0]=4 363 B10R1.18 CC(=O)OC1CCCNC1 MCULE-1733458491 [1,0,0,1,0,0|2,0,0]=4 364 B10R1.18 CC(=O)OC1CCCNC1 MCULE-4433179343 [1,0,0,1,0,0|2,0,0]=4 365 B10R1.18 CC(C)CC1CCCNC1 MCULE-3604764829 [1,0,0,1,0,0|1,0,1]=4 366 B10R1.18 CC(C)CC1CCCNC1 MCULE-6586488336 [1,0,0,1,0,0|1,0,1]=4 367 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [1,0,0,1,0,0|2,0,0]=4 368 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [1,0,0,1,0,0|1,0,0]=3 369 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [1,0,0,1,0,0|1,0,0]=3 370 B10R1.18 NC(=O)CC1CNCCO1 MCULE-2394638010 [1,0,0,1,0,0|2,0,0]=4 371 B10R1.18 NC(=O)NC1CCCNC1 MCULE-6949169935 [1,0,0,1,0,0|2,0,0]=4 372 B10R1.18 NC(=O)NC1CCCNC1 MCULE-7043674090 [1,0,0,1,0,0|2,0,0]=4 373 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [1,0,0,1,0,0|2,0,0]=4 374 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [1,0,0,1,0,0|1,0,1]=4 375 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [1,0,0,1,0,0|1,0,1]=4 376 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [1,0,0,1,0,0|1,0,0]=3 377 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [1,0,0,1,0,0|2,0,0]=4 378 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [1,0,0,1,0,0|2,0,0]=4 379 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [1,0,0,1,0,0|2,0,0]=4 380 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [1,0,0,1,0,0|0,0,0]=2 381 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [1,0,0,1,0,0|0,0,0]=2 382 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [1,0,0,1,0,0|1,0,0]=3 383 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [1,0,0,1,0,0|2,0,0]=4 384 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [1,0,0,1,0,0|2,0,0]=4 385 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [1,0,0,1,0,0|2,0,0]=4 386 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [1,0,0,1,0,0|2,0,0]=4 387 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [1,0,0,1,0,0|1,0,0]=3 388 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [1,0,0,1,0,0|1,0,0]=3 389 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [1,0,0,1,0,0|1,0,0]=3 390 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [1,0,0,1,0,0|1,0,0]=3 391 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [1,0,0,1,0,0|1,0,0]=3 392 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [1,0,0,1,0,0|2,0,0]=4 393 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [1,0,0,1,0,0|2,0,0]=4 394 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [1,0,0,1,0,0|2,0,0]=4 395 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [1,0,0,1,0,0|2,0,0]=4 396 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [1,0,0,1,0,0|2,0,0]=4 397 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [1,0,0,1,0,0|2,0,0]=4 398 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [1,0,0,1,0,0|1,0,1]=4 399 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [1,0,0,1,0,0|2,0,0]=4 400 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [1,0,0,1,0,0|2,0,0]=4 401 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [1,0,0,1,0,0|2,0,0]=4 402 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [1,0,0,1,0,0|0,0,0]=2 403 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [1,0,0,1,0,0|0,0,0]=2 404 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [1,0,0,1,0,0|0,0,0]=2 405 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [1,0,0,1,0,0|0,0,0]=2 406 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [1,0,0,1,0,0|1,0,0]=3 407 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [1,0,0,1,0,0|1,0,0]=3 408 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [1,0,0,1,0,0|1,0,0]=3 409 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [1,0,0,1,0,0|1,0,0]=3 410 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [1,0,0,1,0,0|2,0,0]=4 411 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [1,0,0,1,0,0|2,0,0]=4 412 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [1,0,0,1,0,0|2,0,0]=4 413 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [1,0,0,1,0,0|2,0,0]=4 414 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [1,0,0,1,0,0|2,0,0]=4 415 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [1,0,0,1,0,0|0,0,0]=2 416 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [1,0,0,1,0,0|0,0,0]=2 417 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [1,0,0,1,0,0|0,0,0]=2 418 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [1,0,0,1,0,0|0,0,0]=2 419 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [1,0,0,1,0,0|1,0,0]=3 420 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [1,0,0,1,0,0|1,0,0]=3 421 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [1,0,0,1,0,0|1,0,0]=3 422 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [1,0,0,1,0,0|1,0,0]=3 423 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [1,0,0,1,0,0|2,0,0]=4 424 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [1,0,0,1,0,0|2,0,0]=4 425 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [1,0,0,1,0,0|2,0,0]=4 426 B10R1.36 CC1(CC(NC1=O)CO)C MCULE-1693842970 [1,0,0,1,0,0|2,0,0]=4 427 B10R1.36 CC1(C[C@H](NC1=O)CO)C MCULE-1341867191 [1,0,0,1,0,0|2,0,0]=4 428 B10R1.36 CC1(C[C@H](NC1=O)CO)C MCULE-8067827378 [1,0,0,1,0,0|2,0,0]=4 429 B10R1.36 [C@@H]1(CC(C(=O)N1)(C)C)CO MCULE-5024937486 [1,0,0,1,0,0|2,0,0]=4 430 B10R1.39 CC(=O)N1CCCC1CN MCULE-8374406668 [1,0,0,1,0,0|2,0,0]=4 431 B10R1.39 CC(=O)N1CCC[C@H]1CN MCULE-8445880935 [1,0,0,1,0,0|2,0,0]=4 432 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [1,0,0,1,0,0|1,0,0]=3 433 B10R1.39 CCC1CCNC1C(=O)O MCULE-1392850907 [1,0,0,1,0,0|2,0,0]=4 434 B10R1.39 CCC1CCNC1C(=O)O MCULE-2618729884 [1,0,0,1,0,0|2,0,0]=4 435 B10R1.39 CCC1NCCC1C(=O)O MCULE-6308897662 [1,0,0,1,0,0|2,0,0]=4 436 B10R1.39 CCC1NCCC1C(=O)O MCULE-6989316364 [1,0,0,1,0,0|2,0,0]=4 437 B10R1.39 CCC1OCCC1C(=O)O MCULE-3029813377 [1,0,0,1,0,0|2,0,0]=4 438 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [1,0,0,1,0,0|2,0,0]=4 439 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [1,0,0,1,0,0|2,0,0]=4 440 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [1,0,0,1,0,0|2,0,0]=4 441 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [1,0,0,1,0,0|2,0,0]=4 442 B10R1.39 CC[C@@H]1CNC[C@@H]1C(=O)O MCULE-8464460557 [1,0,0,1,0,0|2,0,0]=4 443 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O MCULE-2742804200 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [1,0,0,1,0,0|2,0,0]=4 445 B10R1.39 CSC1CCCC1C(=O)O MCULE-7830513386 [1,0,0,1,0,0|2,0,0]=4 446 B10R1.39 NCC1CCCC1C(=O)O MCULE-5775773821 [1,0,0,1,0,0|0,0,0]=2 447 B10R1.39 NCC1CCCC1C(=O)O MCULE-6872336527 [1,0,0,1,0,0|0,0,0]=2 448 B10R1.39 NCC1OCCC1C(=O)O MCULE-2668866861 [1,0,0,1,0,0|1,0,0]=3 449 B10R1.39 NCC1OCCC1C(=O)O MCULE-9067491644 [1,0,0,1,0,0|1,0,0]=3 450 B10R1.39 NC[C@@H]1CSCN1C(=O)O MCULE-1801556250 [1,0,0,1,0,0|2,0,0]=4 451 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [1,0,0,1,0,0|2,0,0]=4 452 B10R1.54 CC(C)CC1CCC(=O)C1 MCULE-8411928960 [1,0,0,1,0,0|1,0,0]=3 453 B10R1.54 CC(C)CC1CNC(=O)C1 MCULE-6028990959 [1,0,0,1,0,0|0,0,0]=2 454 B10R1.54 CC(C)CC1COC(=O)N1 MCULE-2053821380 [1,0,0,1,0,0|2,0,0]=4 455 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 MCULE-7824638724 [1,0,0,1,0,0|0,0,0]=2 456 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 MCULE-9726195879 [1,0,0,1,0,0|0,0,0]=2 457 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 MCULE-2577285115 [1,0,0,1,0,0|2,0,0]=4 458 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 MCULE-8227631397 [1,0,0,1,0,0|2,0,0]=4 459 B10R1.54 CC(C)C[C@H]1COC(=O)N1 MCULE-5262696884 [1,0,0,1,0,0|2,0,0]=4 460 B10R1.54 CC(C)C[C@H]1COC(=O)N1 MCULE-9120327944 [1,0,0,1,0,0|2,0,0]=4 461 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [1,0,0,1,0,0|1,0,0]=3 462 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [1,0,0,1,0,0|2,0,0]=4 463 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-1407049911 [1,0,0,1,0,0|2,0,0]=4 464 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-9097138381 [1,0,0,1,0,0|2,0,0]=4 465 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [1,0,0,1,0,0|2,0,0]=4 466 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [1,0,0,1,0,0|2,0,0]=4 467 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [1,0,0,1,0,0|2,0,0]=4 468 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [1,0,0,1,0,0|1,0,1]=4 469 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [1,0,0,1,0,0|2,0,0]=4 470 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [1,0,0,1,0,0|1,0,0]=3 471 B10R1.64 CC1CCCN1CC(=O)O MCULE-5477147476 [1,0,0,1,0,0|2,0,0]=4 472 B10R1.64 CC1CCCN1CC(=O)O MCULE-7787437864 [1,0,0,1,0,0|2,0,0]=4 473 B10R1.64 CC1OCCC1CC(=O)O MCULE-3630286814 [1,0,0,1,0,0|2,0,0]=4 474 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [1,0,0,1,0,0|2,0,0]=4 475 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [1,0,0,1,0,0|2,0,0]=4 476 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [1,0,0,1,0,0|2,0,0]=4 477 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [1,0,0,1,0,0|0,0,0]=2 478 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [1,0,0,1,0,0|0,0,0]=2 479 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [1,0,0,1,0,0|1,0,1]=4 480 B10R1.86 C1(CCN1CCC)C(=O)O MCULE-6068820697 [1,0,0,1,0,0|2,0,0]=4 481 B10R1.86 CCCN1CCC1C(=O)O MCULE-3134623791 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-3091851598 [1,0,0,1,0,0|2,0,0]=4 483 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-5611349990 [1,0,0,1,0,0|2,0,0]=4 484 B10R1.91 CCOC1C(C1C(=O)O)C MCULE-2261632181 [1,0,0,1,0,0|2,0,0]=4 485 B10R1.95 CC1(OC[C@@H](O1)CC=O)C MCULE-2723065163 [1,0,0,1,0,0|2,0,0]=4 486 B10R1.95 CC1(OC[C@@H](O1)CC=O)C MCULE-7434678508 [1,0,0,1,0,0|2,0,0]=4 487 B10R1.162 NCC1CCCCC(=O)N1 MCULE-4887883772 [1,0,0,1,0,0|2,0,0]=4 488 B10R1.162 O=C1CC(CCCN1)CO MCULE-9468190378 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.165 CCC1CN(C1C(=O)O)C MCULE-5939427175 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3015108374 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3864383046 [1,0,0,1,0,0|2,0,0]=4 492 B10R1.171 CC1(CC(CCO1)CBr)C MCULE-8097359200 [1,0,0,1,0,0|1,0,1]=4 493 B10R1.171 CC1(CC(CCO1)CN)C MCULE-5586634215 [1,0,0,1,0,0|0,0,1]=3 494 B10R1.171 CC1(CC(CCO1)CN)C MCULE-8140567688 [1,0,0,1,0,0|0,0,1]=3 495 B10R1.171 CC1(CC(CCO1)CO)C MCULE-9082743031 [1,0,0,1,0,0|1,0,1]=4 496 B10R1.171 CC1(CC(CCO1)NN)C MCULE-1417383773 [1,0,0,1,0,0|1,0,1]=4 497 B10R1.171 CC1(CC(CCO1)NN)C MCULE-3184856839 [1,0,0,1,0,0|1,0,1]=4 498 B10R1.171 CC1(CC(CCO1)NN)C MCULE-4563650190 [1,0,0,1,0,0|1,0,1]=4 499 B10R1.171 CC1(CCCC(C1)CN)C MCULE-1309816062 [1,0,0,1,0,0|1,0,1]=4 500 B10R1.171 CC1(CCCC(C1)CN)C MCULE-9031442936 [1,0,0,1,0,0|1,0,1]=4 501 B10R1.171 NCC1CCCS(=O)(=O)C1 MCULE-5389206511 [1,0,0,1,0,0|1,0,1]=4 502 B10R1.171 NCC1CCCS(=O)(=O)C1 MCULE-5664764803 [1,0,0,1,0,0|1,0,1]=4 503 B10R1.227 CC(C)CC1(CCC1)CN MCULE-3403994095 [1,0,0,1,0,0|1,0,1]=4 504 B10R1.227 CCC1(CCC1)CC(=O)O MCULE-2720340822 [1,0,0,1,0,0|1,0,0]=3 505 B10R1.227 COC1(CCC1)CC(=O)O MCULE-7616570750 [1,0,0,1,0,0|2,0,0]=4 506 B10R1.227 N#CC1(CCC1)CC(=O)O MCULE-7756435009 [1,0,0,1,0,0|0,0,2]=4 507 B10R1.227 NCC1(CCC1)CC(=O)O MCULE-2925464855 [1,0,0,1,0,0|0,0,0]=2 508 B10R1.227 NCC1(CCC1)CC(=O)O MCULE-3695443009 [1,0,0,1,0,0|0,0,0]=2 509 B10R1.227 NCC1(COC1)CC(=O)O MCULE-9324551565 [1,0,0,1,0,0|1,0,0]=3 510 B10R1.374 CCC(CC(=O)O)C1CC1 MCULE-4126818812 [1,0,0,1,0,0|1,0,0]=3 511 B10R1.374 CCN(CC(=O)O)C1CC1 MCULE-1241341797 [1,0,0,1,0,0|2,0,0]=4 512 B10R1.394 COCC1(CC1)CC(=O)O MCULE-4232699913 [1,0,0,1,0,0|2,0,0]=4 513 B10R1.394 CSCC1(CC1)CC(=O)O MCULE-2913159582 [1,0,0,1,0,0|2,0,0]=4 514 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [1,0,0,1,0,0|0,0,2]=4 515 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [1,0,0,1,0,0|1,0,0]=3 516 B10R1.59 CC1CC(C(O1)C)C(=O)O MCULE-4495071251 [1,0,0,1,0,0|1,0,0]=3 517 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-1544526499 [1,0,0,1,0,0|1,0,0]=3 518 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-4035906246 [1,0,0,1,0,0|1,0,0]=3 519 B10R1.59 CN1CC(CC1C(=O)O)N MCULE-7362090633 [1,0,0,1,0,0|2,0,0]=4 520 B10R1.59 CN1CC(CC1C(=O)O)O MCULE-6963505872 [1,0,0,1,0,0|2,0,0]=4 521 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O MCULE-7645006550 [1,0,0,1,0,0|2,0,0]=4 522 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)F MCULE-1701571164 [1,0,0,1,0,0|2,0,0]=4 523 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)F MCULE-3801669792 [1,0,0,1,0,0|2,0,0]=4 524 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-4289101461 [1,0,0,1,0,0|2,0,0]=4 525 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-5652344615 [1,0,0,1,0,0|2,0,0]=4 526 B10R1.59 CN1C[C@H](C[C@@H]1C(=O)O)O MCULE-4231676044 [1,0,0,1,0,0|2,0,0]=4 527 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-7565756526 [1,0,0,1,0,0|2,0,0]=4 528 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-8931908939 [1,0,0,1,0,0|2,0,0]=4 529 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-2551559641 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-4981449681 [1,0,0,1,0,0|2,0,0]=4 531 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-3249388528 [1,0,0,1,0,0|1,0,0]=3 532 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-5892295670 [1,0,0,1,0,0|1,0,0]=3 533 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1379494499 [1,0,0,1,0,0|1,0,0]=3 534 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1502363575 [1,0,0,1,0,0|1,0,0]=3 535 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1565262465 [1,0,0,1,0,0|1,0,0]=3 536 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-4515635703 [1,0,0,1,0,0|1,0,0]=3 537 B10R1.59 [C@H]1(C[C@H](CN1C)C)C(=O)O MCULE-6457651208 [1,0,0,1,0,0|1,0,0]=3 538 B10R1.268 O=C(O)CS(=O)CC1CC1 MCULE-8236079442 [1,0,0,1,0,0|2,0,0]=4 539 B10R1.310 CN1CC(C1C(=O)O)(C)C MCULE-7901480911 [1,0,0,1,0,0|1,0,0]=3 540 B10R1.310 CN1CC([C@H]1C(=O)O)(C)C MCULE-5335439230 [1,0,0,1,0,0|1,0,0]=3 541 B10R1.310 [C@@H]1(N(CC1(C)C)C)C(=O)O MCULE-8814211574 [1,0,0,1,0,0|1,0,0]=3 542 B10R1.329 CC1(CC(=O)CC(=O)O1)C MCULE-1924006071 [1,0,0,1,0,0|1,0,1]=4 543 B10R1.329 CC1(CC(CC(=O)N1)N)C MCULE-5922342661 [1,0,0,1,0,0|1,0,0]=3 544 B10R1.329 CC1(CC(CC(=O)N1)N)C MCULE-7808338375 [1,0,0,1,0,0|1,0,0]=3 545 B10R1.329 CC1(CC(CC(C1)O)N)C MCULE-7541006981 [1,0,0,1,0,0|1,0,1]=4 546 B10R1.329 CC1(C[C@@H](C[C@@H](C1)O)N)C MCULE-1878489576 [1,0,0,1,0,0|1,0,1]=4 547 B10R1.329 CC1CC(=O)CC(C1)(C)C MCULE-9871375617 [1,0,0,1,0,0|1,0,0]=3 548 B10R1.329 CC1CC(CC(C1)(C)C)O MCULE-2215850210 [1,0,0,1,0,0|1,0,1]=4 549 B10R1.329 CC1CC(NC(=O)O1)(C)C MCULE-9059038179 [1,0,0,1,0,0|2,0,0]=4 550 B10R1.329 C[C@@H]1C[C@@H](CC(C1)(C)C)O MCULE-1032558152 [1,0,0,1,0,0|1,0,1]=4 551 B10R1.329 C[C@@H]1C[C@@H](CC(C1)(C)C)O MCULE-7025039245 [1,0,0,1,0,0|1,0,1]=4 552 B10R1.329 C[C@@H]1C[C@H](CC(C1)(C)C)O MCULE-1480131928 [1,0,0,1,0,0|1,0,1]=4 553 B10R1.329 C[C@H]1CC(=O)CC(C1)(C)C MCULE-8164278833 [1,0,0,1,0,0|1,0,0]=3 554 B10R1.329 C[C@H]1C[C@H](CC(C1)(C)C)O MCULE-6384145342 [1,0,0,1,0,0|1,0,1]=4 555 B10R1.329 C[C@H]1C[C@H](CC(C1)(C)C)O MCULE-6541264690 [1,0,0,1,0,0|1,0,1]=4 556 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O MCULE-7367162008 [1,0,0,1,0,0|0,0,0]=2 557 B10R1.371 CC1(CC(=CC(=O)O)C1)C MCULE-9641190837 [1,0,0,1,0,0|0,0,2]=4 558 B10R1.371 CC1(CN(C1)CC(=O)O)C MCULE-2129138471 [1,0,0,1,0,0|1,0,0]=3 559 B10R1.371 CC1(CN(C1)CC(=O)O)C MCULE-5282312273 [1,0,0,1,0,0|1,0,0]=3 560 B10R1.371 O=C(O)CC1CC(C1)(F)F MCULE-1067818772 [1,0,0,1,0,0|2,0,0]=4 561 B10R1.443 CC1(CC1(Cl)Cl)CC(=O)O MCULE-7533226355 [1,0,0,1,0,0|2,0,0]=4 562 B10R1.443 CC1(CC1(F)Cl)CC(=O)O MCULE-4040097669 [1,0,0,1,0,0|2,0,0]=4 563 B10R1.30 CCC1CC(CCC1=O)C MCULE-9407073298 [0,0,0,1,1,0|2,0,0]=4 564 B10R1.33 CC1(CC(C(=O)N1)CO)C MCULE-9881210570 [0,0,0,1,1,0|2,0,0]=4 565 B10R1.33 CNC1CC(OC1=O)(C)C MCULE-1786341770 [0,0,0,1,1,0|2,0,0]=4 566 B10R1.33 CNC1CC(OC1=O)(C)C MCULE-2918613657 [0,0,0,1,1,0|2,0,0]=4 567 B10R1.42 COC1C(C1(C)C)C(=O)O MCULE-4079852033 [0,0,0,1,1,0|2,0,0]=4 568 B10R1.113 CC(C)C1CCCC(=O)C1 MCULE-1852539155 [0,0,0,1,1,0|2,0,0]=4 569 B10R1.113 CC(C)C1CNCC(=O)N1 MCULE-6646299443 [0,0,0,1,1,0|2,0,0]=4 570 B10R1.113 CC(C)C1CNCC(=O)N1 MCULE-6741174045 [0,0,0,1,1,0|2,0,0]=4 571 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,0,0,1,1,0|2,0,0]=4 572 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,0,0,1,1,0|2,0,0]=4 573 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,0,0,1,1,0|2,0,0]=4 574 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,0,1,1,0|1,0,0]=3 575 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,1,0|2,0,0]=4 576 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,1,0|2,0,0]=4 577 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,1,0|2,0,0]=4 578 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,1,0|2,0,0]=4 579 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,0,0,1,1,0|2,0,0]=4 580 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,0,0,1,1,0|0,0,0]=2 581 B10R1.113 CC1CNCC(O1)C(=O)N MCULE-4373996098 [0,0,0,1,1,0|2,0,0]=4 582 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,1,0|1,0,0]=3 583 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,1,0|2,0,0]=4 584 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,0,1,1,0|2,0,0]=4 585 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,0,1,1,0|2,0,0]=4 586 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,0,1,1,0|2,0,0]=4 587 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,0,1,1,0|2,0,0]=4 588 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,0,1,1,0|2,0,0]=4 589 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,0,1,1,0|2,0,0]=4 590 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,0,1,1,0|2,0,0]=4 591 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,0,1,1,0|1,0,0]=3 592 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,1,0|2,0,0]=4 593 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,1,0|2,0,0]=4 594 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,0,1,1,0|1,0,0]=3 595 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,0,0,1,1,0|2,0,0]=4 596 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,0,0,1,1,0|2,0,0]=4 597 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,0,0,1,1,0|2,0,0]=4 598 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,0,0,1,1,0|2,0,0]=4 599 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,0,0,1,1,0|2,0,0]=4 600 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,0,0,1,1,0|0,0,0]=2 601 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,0,0,1,1,0|0,0,0]=2 602 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,1,0|1,0,0]=3 603 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,1,0|1,0,0]=3 604 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,0,0,1,1,0|0,0,0]=2 605 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,0,0,1,1,0|2,0,0]=4 606 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,0,0,1,1,0|2,0,0]=4 607 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,0,1,1,0|1,0,0]=3 608 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,0,1,1,0|1,0,0]=3 609 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,0,0,1,1,0|2,0,0]=4 610 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,0,0,1,1,0|2,0,0]=4 611 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,0,0,1,1,0|2,0,0]=4 612 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,0,0,1,1,0|0,0,0]=2 613 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,0,0,1,1,0|0,0,0]=2 614 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,0,0,1,1,0|2,0,0]=4 615 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,0,0,1,1,0|2,0,0]=4 616 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,0,0,1,1,0|2,0,0]=4 617 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,0,0,1,1,0|2,0,0]=4 618 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,0,0,1,1,0|2,0,0]=4 619 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,0,0,1,1,0|2,0,0]=4 620 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,0,0,1,1,0|2,0,0]=4 621 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,0,0,1,1,0|2,0,0]=4 622 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,0,0,1,1,0|2,0,0]=4 623 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,0,0,1,1,0|2,0,0]=4 624 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,0,0,1,1,0|2,0,0]=4 625 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,0,0,1,1,0|2,0,0]=4 626 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,0,0,1,1,0|2,0,0]=4 627 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,0,0,1,1,0|2,0,0]=4 628 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,0,0,1,1,0|2,0,0]=4 629 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,0,0,1,1,0|2,0,0]=4 630 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,0,0,1,1,0|2,0,0]=4 631 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,0,0,1,1,0|2,0,0]=4 632 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,0,0,1,1,0|2,0,0]=4 633 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,0,0,1,1,0|2,0,0]=4 634 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,0,0,1,1,0|2,0,0]=4 635 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,0,0,1,1,0|2,0,0]=4 636 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,0,0,1,1,0|2,0,0]=4 637 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,1,0|2,0,0]=4 638 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,1,0|1,0,0]=3 639 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,1,0|1,0,0]=3 640 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,1,0|2,0,0]=4 641 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,1,0|2,0,0]=4 642 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,1,0|2,0,0]=4 643 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,1,0|2,0,0]=4 644 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,1,0|2,0,0]=4 645 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,1,0|2,0,0]=4 646 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,1,0|2,0,0]=4 647 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,1,0|2,0,0]=4 648 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,1,0|2,0,0]=4 649 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,0,1,1,0|2,0,0]=4 650 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,0,0,1,1,0|2,0,0]=4 651 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,0,0,1,1,0|2,0,0]=4 652 B10R1.234 CC1CC(C1)(C#N)C(=O)O MCULE-5344188137 [0,0,0,1,1,0|0,0,2]=4 653 B10R1.234 O=C(O)C1(CC(C1)O)CO MCULE-2858031975 [0,0,0,1,1,0|2,0,0]=4 654 B10R1.242 CC1(CC1(C#N)C(=O)O)C MCULE-1883481920 [0,0,0,1,1,0|0,0,2]=4 655 B10R1.242 CC1(CC1(CN)C(=O)O)C MCULE-6453482430 [0,0,0,1,1,0|0,0,0]=2 656 B10R1.242 NCC1(CC1(F)F)C(=O)O MCULE-9341531048 [0,0,0,1,1,0|2,0,0]=4 657 B10R1.242 NCC1(CC1(F)F)C(=O)O MCULE-9665799660 [0,0,0,1,1,0|2,0,0]=4 658 B10R1.359 CC1(CC(CO1)C(=O)O)C MCULE-2939144976 [0,0,0,1,1,0|1,0,0]=3 659 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,0,0,1,1,0|1,0,0]=3 660 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,1,1,0|2,0,0]=4 661 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,1,1,0|2,0,0]=4 662 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,0,0,1,1,0|2,0,0]=4 663 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-3559457457 [0,0,0,1,1,0|2,0,0]=4 664 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-4286050645 [0,0,0,1,1,0|2,0,0]=4 665 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-2704032687 [0,0,0,1,1,0|2,0,0]=4 666 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-3701263335 [0,0,0,1,1,0|2,0,0]=4 667 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-5777695775 [0,0,0,1,1,0|2,0,0]=4 668 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-7930268339 [0,0,0,1,1,0|2,0,0]=4 669 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5601172836 [0,0,0,1,1,0|2,0,0]=4 670 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5795533452 [0,0,0,1,1,0|2,0,0]=4 671 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-6871769907 [0,0,0,1,1,0|2,0,0]=4 672 B10R1.359 CC1(COC(C1)C(=O)O)C MCULE-3465757314 [0,0,0,1,1,0|2,0,0]=4 673 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,0,0,1,1,0|2,0,0]=4 674 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,0,0,1,1,0|2,0,0]=4 675 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,0,0,1,1,0|2,0,0]=4 676 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,0,0,1,1,0|2,0,0]=4 677 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,0,0,1,1,0|2,0,0]=4 678 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,0,0,1,1,0|2,0,0]=4 679 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,0,0,1,1,0|2,0,0]=4 680 B10R1.359 CC1(OCC(O1)C(=O)O)C MCULE-8459041221 [0,0,0,1,1,0|2,0,0]=4 681 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-4620241254 [0,0,0,1,1,0|2,0,0]=4 682 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-7602075849 [0,0,0,1,1,0|2,0,0]=4 683 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-6422447541 [0,0,0,1,1,0|2,0,0]=4 684 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-7066406161 [0,0,0,1,1,0|2,0,0]=4 685 B10R1.361 C1(CCN1C(C)C)C(=O)O MCULE-2301490448 [0,0,0,1,1,0|2,0,0]=4 686 B10R1.361 CC(C)N1CCC1C(=O)O MCULE-3327703206 [0,0,0,1,1,0|2,0,0]=4 687 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-1726046033 [0,0,0,1,1,0|2,0,0]=4 688 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-3879944736 [0,0,0,1,1,0|2,0,0]=4 689 B10R1.442 CC(C)CC1(CC1)C(=O)O MCULE-1543671076 [0,0,0,1,1,0|1,0,0]=3 690 B10R1.442 CN(C)CC1(CC1)C(=O)O MCULE-2228137213 [0,0,0,1,1,0|2,0,0]=4 691 B10R1.442 CN(C)CC1(CC1)C(=O)O MCULE-2894449552 [0,0,0,1,1,0|2,0,0]=4 692 B10R1.444 CC1(NC(=O)CC1CO)C MCULE-4212657677 [0,0,0,1,1,0|2,0,0]=4 693 B10R1.444 CC1(OC(=O)CC1C#N)C MCULE-5939151357 [0,0,0,1,1,0|0,0,2]=4 694 B10R1.469 CCC(CC1CC1)C(=O)O MCULE-1890976497 [0,0,0,1,1,0|1,0,0]=3 695 B10R1.469 CCC(NC1CC1)C(=O)O MCULE-7285104702 [0,0,0,1,1,0|2,0,0]=4 696 B10R1.469 N#CC(CC1CC1)C(=O)O MCULE-3378185370 [0,0,0,1,1,0|0,0,2]=4 697 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-2099794535 [0,0,0,1,1,0|0,0,0]=2 698 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-7748639429 [0,0,0,1,1,0|0,0,0]=2 699 B10R1.469 NCC(NC1CC1)C(=O)N MCULE-9587213676 [0,0,0,1,1,0|2,0,0]=4 700 B10R1.469 NCC(NC1CC1)C(=O)O MCULE-4716840583 [0,0,0,1,1,0|1,0,0]=3 701 B12R1.226 CC1CCCC(C1)OCC(=O)O MCULE-3536391684 [0,0,0,1,0,1|1,0,0]=3 702 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [0,0,0,1,0,1|2,0,0]=4 703 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [0,0,0,1,0,1|2,0,0]=4 704 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-3500988064 [0,0,0,1,0,1|2,0,0]=4 705 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-8728115483 [0,0,0,1,0,1|2,0,0]=4 706 B12R1.226 CN1CCCC(C1)NCC(=O)O MCULE-6721661189 [0,0,0,1,0,1|2,0,0]=4 707 B12R1.226 CN1CCCC(C1)OCC(=O)O MCULE-6639864622 [0,0,0,1,0,1|2,0,0]=4 708 B12R1.226 CN1CCC[C@@H](C1)NCC(=O)O MCULE-3675830850 [0,0,0,1,0,1|2,0,0]=4 709 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)O MCULE-2069209067 [0,0,0,1,0,1|2,0,0]=4 710 B12R1.226 CN1CCC[C@H](C1)NCC(=O)O MCULE-9295632716 [0,0,0,1,0,1|2,0,0]=4 711 B12R1.226 CN1CCC[C@H](C1)OCC(=O)O MCULE-1022208079 [0,0,0,1,0,1|2,0,0]=4 712 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [0,0,0,1,0,1|2,0,0]=4 713 B12R1.389 CC(C)CC1NC(CS1)C(=O)O MCULE-1134810155 [0,0,0,1,0,1|2,0,0]=4 714 B12R1.389 CC(C)N1CCC(C1)CC(=O)O MCULE-3311319681 [0,0,0,1,0,1|1,0,0]=3 715 B12R1.389 CC(C)N[C@H]1CCN(C1)C(=O)O MCULE-5556046024 [0,0,0,1,0,1|2,0,0]=4 716 B12R1.684 CC1CCC(C1)(CN)CC(=O)O MCULE-3692173566 [0,0,0,1,0,1|0,0,0]=2 717 B12R1.684 CC1CCC(C1)(CN)CC(=O)O MCULE-7153514232 [0,0,0,1,0,1|0,0,0]=2 718 B12R1.1806 CC1(COC(C1)CCC(=O)O)C MCULE-9132634928 [0,0,0,1,0,1|2,0,0]=4 719 B12R1.1819 CC1(CCC(CC1)CC(=O)O)C MCULE-5045016279 [0,0,0,1,0,1|1,0,0]=3 720 B12R1.1819 CC1(CCC(CC1)CC(=O)O)O MCULE-8227058559 [0,0,0,1,0,1|2,0,0]=4 721 B12R1.1819 CC1(COC(CN1)CC(=O)O)C MCULE-3602345068 [0,0,0,1,0,1|0,0,0]=2 722 B12R1.1819 CC1(COC(CN1)CC(=O)O)C MCULE-8357500256 [0,0,0,1,0,1|0,0,0]=2 723 B12R1.1819 CC1(COC(OC1)CC(=O)O)C MCULE-4141703348 [0,0,0,1,0,1|2,0,0]=4 724 B12R1.1819 CC1(CO[C@@H](CN1)CC(=O)O)C MCULE-2685094504 [0,0,0,1,0,1|0,0,0]=2 725 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C MCULE-1372947832 [0,0,0,1,0,1|0,0,0]=2 726 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C MCULE-1691588820 [0,0,0,1,0,1|0,0,0]=2 727 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C MCULE-9763202449 [0,0,0,1,0,1|0,0,0]=2 728 B12R1.844 CC1(CC(C(=O)O1)CC(=O)O)C MCULE-5608114296 [0,1,0,1,0,0|1,0,1]=4 729 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O MCULE-5449345895 [0,1,0,1,0,0|1,0,1]=4 730 B12R1.101 CC(C)CC1CC(=O)CC(=O)C1 MCULE-4714341406 [0,1,0,1,0,0|2,0,0]=4 731 B12R1.101 CC(C)CC1CC(=O)NC(=N1)N MCULE-3870210783 [0,1,0,1,0,0|1,0,1]=4 732 B12R1.101 CC(C)CC1CC(=O)NC(=O)C1 MCULE-4036813781 [0,1,0,1,0,0|2,0,0]=4 733 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 MCULE-7246179637 [0,1,0,1,0,0|1,0,0]=3 734 B12R1.101 CC1CC(CC(O1)C)CC(=O)O MCULE-8495492526 [0,1,0,1,0,0|2,0,0]=4 735 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-2538801181 [0,1,0,1,0,0|2,0,0]=4 736 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-5326748867 [0,1,0,1,0,0|2,0,0]=4 737 B12R1.392 CC(C)CN1CCCC1C(=O)O MCULE-4228889336 [0,1,0,1,0,0|2,0,0]=4 738 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2363163465 [0,1,0,1,0,0|2,0,0]=4 739 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2594145267 [0,1,0,1,0,0|2,0,0]=4 740 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C MCULE-3148966239 [0,1,0,1,0,0|1,0,0]=3 741 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C MCULE-4167404807 [0,1,0,1,0,0|1,0,0]=3 742 B12R1.1821 CC1(CCCC(O1)CC(=O)O)C MCULE-4104007715 [0,1,0,1,0,0|2,0,0]=4 743 B12R1.1821 CC1(COCC(O1)CC(=O)O)C MCULE-1004556362 [0,1,0,1,0,0|2,0,0]=4 744 B12R1.1821 O=C(O)CC1CCCC(C1)(F)F MCULE-3398256735 [0,1,0,1,0,0|2,0,0]=4 745 B12R1.19 CC1CCC(CC1C)CC(=O)O MCULE-7238132549 [0,1,0,1,0,0|1,0,0]=3 746 B12R1.19 CC1CN(CCN1C)CC(=O)O MCULE-7580424830 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.50 COC(=O)CC1CCCC(C1)O MCULE-4558889415 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.50 COC(=O)CC1CNCC(C1)C MCULE-4928420170 [0,1,0,1,0,0|0,0,0]=2 749 B12R1.50 COC(=O)CC1CNCC(C1)C MCULE-8819578803 [0,1,0,1,0,0|0,0,0]=2 750 B12R1.50 COC(=O)CC1CNCC(O1)C MCULE-2228188415 [0,1,0,1,0,0|1,0,0]=3 751 B12R1.438 CCC1CC(CCO1)CC(=O)O MCULE-1533632681 [0,1,0,1,0,0|2,0,0]=4 752 B12R1.438 CCN1CCCC(C1)CC(=O)O MCULE-7610748383 [0,1,0,1,0,0|2,0,0]=4 753 B12R1.438 COC1CCCC(C1)CC(=O)O MCULE-9301642131 [0,1,0,1,0,0|1,0,0]=3 754 B12R1.438 COC1CCCN(C1)CC(=O)O MCULE-8425591467 [0,1,0,1,0,0|2,0,0]=4 755 B12R1.438 N#CC1CCCC(C1)CC(=O)O MCULE-8692118131 [0,1,0,1,0,0|1,0,1]=4 756 B12R1.438 O=C(O)CN1CCCC(C1)CBr MCULE-6873714063 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.438 O=C(O)CN1CCCC(C1)CCl MCULE-7630589107 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.438 O=C(O)CN1CCCC(C1)CI MCULE-5847096454 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.438 O=C(O)CN1CCCC(C1)CO MCULE-9181009444 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.1673 COC(=O)CC1COC(O1)(C)C MCULE-4927230069 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.1673 COC(=O)CC1COC(O1)(C)C MCULE-8975462144 [0,1,0,1,0,0|2,0,0]=4 762 B12R1.1673 COC(=O)C[C@@H]1COC(O1)(C)C MCULE-9456844645 [0,1,0,1,0,0|2,0,0]=4 763 B12R1.1673 COC(=O)C[C@H]1COC(O1)(C)C MCULE-5723751665 [0,1,0,1,0,0|2,0,0]=4 764 B12R1.1673 COC(=O)C[C@H]1COC(O1)(C)C MCULE-7010562625 [0,1,0,1,0,0|2,0,0]=4 765 B12R1.225 CC1CCCC(C1)C(N)C(=O)O MCULE-7804039697 [0,1,0,1,0,0|1,0,0]=3 766 B12R1.225 CC1CCCN(C1)C(C)C(=O)O MCULE-4406041140 [0,1,0,1,0,0|2,0,0]=4 767 B12R1.857 CC(C)CC1(CC(=O)OC1=O)C MCULE-9481416365 [0,1,0,1,0,0|1,0,1]=4 768 B12R1.1257 CN1CCCC(C1)(O)CC(=O)O MCULE-4658177717 [0,1,0,1,0,0|2,0,0]=4 769 B12R1.1257 CN1CCCC(C1)(O)CC(=O)O MCULE-6591140306 [0,1,0,1,0,0|2,0,0]=4 770 B12R1.1831 CC1(CC(CO1)(O)CC(=O)O)C MCULE-1905366955 [0,1,0,1,0,0|1,0,0]=3 771 B12R1.4126 CC1(CC(CC(C1)(C)CN)O)C MCULE-4336837911 [0,1,0,1,0,0|1,0,1]=4 772 B12R1.242 CC1(CC(CC(O1)(C)C)CN)C MCULE-5691530720 [0,1,0,1,0,0|1,0,1]=4 773 B12R1.242 CC1(CC(CC(O1)(C)C)CN)C MCULE-6542532443 [0,1,0,1,0,0|1,0,1]=4 774 B12R2.544 O=S1(=O)CC2CNCC(C2)C1 MCULE-3078113274 [0,0,0,2,0,0|1,0,1]=4 775 B12R2.544 O=S1(=O)CC2CNCC(C2)C1 MCULE-5537520067 [0,0,0,2,0,0|1,0,1]=4 776 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 MCULE-9601771232 [0,0,0,2,0,0|1,0,1]=4 777 B12R2.1145 O=C(O)C1CC2CC(C1C2)O MCULE-9092645789 [0,0,0,2,0,0|1,0,0]=3 778 B12R2.1145 O=C(O)C1CC2CC(C1O2)O MCULE-7550867505 [0,0,0,2,0,0|2,0,0]=4 779 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 MCULE-8622443304 [0,0,0,2,0,0|1,0,1]=4 780 B12R2.1145 O=C(O)[C@@H]1C[C@@H]2C[C@H]([C@H]1O2)O MCULE-7416371352 [0,0,0,2,0,0|2,0,0]=4 781 B12R2.1145 [C@@H]12O[C@@H](C[C@H]1O)C[C@H]2C(=O)O MCULE-5995832358 [0,0,0,2,0,0|2,0,0]=4 782 B12R2.89 CN1CCC2C(C1)C2C(=O)O MCULE-3970218631 [0,0,0,2,0,0|2,0,0]=4 783 B12R2.1655 O=C(O)CC1CCC2CC2C1 MCULE-6785284610 [0,0,0,2,0,0|1,0,0]=3 784 B12R2.1661 CC(=O)CC1CC2CCC1C2 MCULE-5651089589 [0,0,0,2,0,0|2,0,0]=4 785 B12R2.1661 NC(=O)CC1CC2CCC1C2 MCULE-6688461882 [0,0,0,2,0,0|2,0,0]=4 786 B12R2.1661 O=C(O)CC1CC2C=CC1C2 MCULE-3022902616 [0,0,0,2,0,0|1,0,1]=4 787 B12R2.1661 O=C(O)CC1CC2CCC1C2 MCULE-5339221610 [0,0,0,2,0,0|1,0,0]=3 788 B12R2.1661 O=C(O)CC1CC2CCC1O2 MCULE-4541461263 [0,0,0,2,0,0|2,0,0]=4 789 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-2270425781 [0,0,0,2,0,0|2,0,0]=4 790 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-6766378440 [0,0,0,2,0,0|2,0,0]=4 791 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-2911613762 [0,0,0,2,0,0|1,0,1]=4 792 B12R2.1661 [C@@H]12C=C[C@@H](C1)[C@@H](C2)CC(=O)O MCULE-1861105570 [0,0,0,2,0,0|1,0,1]=4 793 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-3421570833 [0,0,0,2,0,0|1,0,0]=3 794 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-7337271479 [0,0,0,2,0,0|1,0,0]=3 795 B12R2.1661 [C@H]12CC[C@H](C1)CN2CC(=O)O MCULE-7434841215 [0,0,0,2,0,0|2,0,0]=4 796 B12R2.1061 CC1(CC2(CO1)CC(=O)C2)C MCULE-4050425487 [0,0,0,2,0,0|2,0,0]=4 797 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,0,0,0,1,0|2,0,0]=4 798 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,0,0,0,1,0|2,0,0]=4 799 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,0,0,0,1,0|0,0,2]=4 800 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,0,0,0,1,0|2,0,0]=4 801 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,0,0,1,0|1,0,0]=3 802 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,0,0,1,0|1,0,0]=3 803 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,0,0,0,1,0|2,0,0]=4 804 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,0,0,0,1,0|2,0,0]=4 805 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,0,0,0,1,0|2,0,0]=4 806 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,0,0,0,1,0|2,0,0]=4 807 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,0,0,0,1,0|2,0,0]=4 808 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,0,0,0,1,0|2,0,0]=4 809 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,0,0,0,1,0|2,0,0]=4 810 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,0,0,1,0|1,0,0]=3 811 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,0,0,1,0|1,0,0]=3 812 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,0,0,0,1,0|2,0,0]=4 813 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,0,0,0,1,0|2,0,0]=4 814 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,0,0,0,1,0|2,0,0]=4 815 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,0,0,0,1,0|2,0,0]=4 816 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,0,0,0,1,0|2,0,0]=4 817 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,0,0,0,1,0|2,0,0]=4 818 B8R0.15 COCC(CN)C(C)C MCULE-1086544008 [1,0,0,0,1,0|2,0,0]=4 819 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,0,0,0,1,0|2,0,0]=4 820 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,0,0,0,1,0|2,0,0]=4 821 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,0,0,0,1,0|0,0,0]=2 822 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,1,0|2,0,0]=4 823 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [1,0,0,0,1,0|0,0,2]=4 824 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,1,0|0,0,2]=4 825 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,1,0|0,0,2]=4 826 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,1,0|0,0,2]=4 827 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,1,0|0,0,2]=4 828 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,1,0|0,0,2]=4 829 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,1,0|0,0,2]=4 830 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,1,0|0,0,2]=4 831 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [1,0,0,0,1,0|0,0,2]=4 832 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [1,0,0,0,1,0|0,0,2]=4 833 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,1,0|1,0,1]=4 834 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [1,0,0,0,1,0|1,0,0]=3 835 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,1,0|1,0,1]=4 836 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [1,0,0,0,1,0|1,0,0]=3 837 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,1,0|1,0,1]=4 838 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,1,0|1,0,1]=4 839 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,1,0|1,0,1]=4 840 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [1,0,0,0,1,0|2,0,0]=4 841 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [1,0,0,0,1,0|2,0,0]=4 842 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [1,0,0,0,1,0|1,0,1]=4 843 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [1,0,0,0,1,0|0,0,0]=2 844 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [1,0,0,0,1,0|0,0,0]=2 845 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [1,0,0,0,1,0|0,0,0]=2 846 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [1,0,0,0,1,0|0,0,0]=2 847 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [1,0,0,0,1,0|0,0,0]=2 848 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,0,0,0,1,0|1,0,0]=3 849 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,0,0,0,1,0|1,0,1]=4 850 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,0,0,0,1,0|1,0,0]=3 851 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,0,0,0,1,0|1,0,0]=3 852 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,0,0,0,1,0|0,0,0]=2 853 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,0,0,0,1,0|1,0,0]=3 854 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,0,0,0,1,0|1,0,0]=3 855 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [1,0,0,0,1,0|1,0,0]=3 856 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [1,0,0,0,1,0|1,0,0]=3 857 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,0,0,0,1,0|0,0,0]=2 858 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,0,0,0,1,0|0,0,0]=2 859 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,0,0,0,1,0|1,0,0]=3 860 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,0,0,0,1,0|1,0,0]=3 861 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [1,0,0,0,1,0|2,0,0]=4 862 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,0,0,0,1,0|1,0,0]=3 863 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,0,0,0,1,0|1,0,0]=3 864 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [1,0,0,0,1,0|1,0,0]=3 865 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,0,0,0,1,0|0,0,0]=2 866 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,0,0,0,1,0|0,0,0]=2 867 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,0,0,0,1,0|1,0,0]=3 868 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,0,0,0,1,0|1,0,0]=3 869 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,0,0,0,1,0|1,0,0]=3 870 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,0,0,0,1,0|1,0,0]=3 871 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,0,0,0,1,0|1,0,0]=3 872 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,0,0,0,1,0|1,0,0]=3 873 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [1,0,0,0,1,0|1,0,0]=3 874 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [1,0,0,0,1,0|1,0,0]=3 875 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [1,0,0,0,1,0|1,0,0]=3 876 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [1,0,0,0,1,0|1,0,0]=3 877 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,0,0,0,1,0|0,0,0]=2 878 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,0,0,0,1,0|0,0,0]=2 879 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,0,0,0,1,0|0,0,0]=2 880 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,0,0,0,1,0|1,0,0]=3 881 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,0,0,0,1,0|1,0,0]=3 882 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [1,0,0,0,1,0|1,0,0]=3 883 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [1,0,0,0,1,0|1,0,0]=3 884 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [1,0,0,0,1,0|1,0,0]=3 885 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [1,0,0,0,1,0|1,0,0]=3 886 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [1,0,0,0,1,0|1,0,0]=3 887 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [1,0,0,0,1,0|1,0,1]=4 888 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [1,0,0,0,1,0|1,0,0]=3 889 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [1,0,0,0,1,0|0,0,0]=2 890 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [1,0,0,0,1,0|0,0,0]=2 891 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [1,0,0,0,1,0|0,0,0]=2 892 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [1,0,0,0,1,0|0,0,0]=2 893 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,0,0,0,1,0|1,0,0]=3 894 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [1,0,0,0,1,0|0,0,0]=2 895 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [1,0,0,0,1,0|0,0,0]=2 896 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [1,0,0,0,1,0|0,0,0]=2 897 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [1,0,0,0,1,0|0,0,0]=2 898 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [1,0,0,0,1,0|2,0,0]=4 899 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [1,0,0,0,1,0|1,0,0]=3 900 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [1,0,0,0,1,0|1,0,0]=3 901 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [1,0,0,0,1,0|2,0,0]=4 902 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,0,0,0,1,0|1,0,0]=3 903 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,0,0,0,1,0|1,0,0]=3 904 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,1,0|2,0,0]=4 905 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,1,0|1,0,0]=3 906 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,1,0|1,0,0]=3 907 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,0,0,0,1,0|1,0,0]=3 908 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,0,0,0,1,0|1,0,0]=3 909 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,0,0,0,1,0|2,0,0]=4 910 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,0,0,0,1,0|1,0,0]=3 911 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,0,0,0,1,0|1,0,0]=3 912 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,0,0,0,1,0|1,0,0]=3 913 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,0,0,0,1,0|1,0,0]=3 914 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,0,0,0,1,0|1,0,0]=3 915 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,0,0,0,1,0|2,0,0]=4 916 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,1,0|2,0,0]=4 917 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,1,0|2,0,0]=4 918 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,1,0|2,0,0]=4 919 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [1,0,0,0,1,0|1,0,0]=3 920 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,1,0|1,0,0]=3 921 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,1,0|1,0,0]=3 922 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,1,0|1,0,0]=3 923 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,1,0|1,0,0]=3 924 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,1,0|1,0,0]=3 925 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,1,0|1,0,0]=3 926 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [1,0,0,0,1,0|1,0,0]=3 927 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,0,0,0,1,0|1,0,0]=3 928 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,0,0,0,1,0|1,0,0]=3 929 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,1,0|1,0,0]=3 930 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,1,0|2,0,0]=4 931 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,0,0,0,1,0|2,0,0]=4 932 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,0,0,0,1,0|2,0,0]=4 933 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,0,0,0,1,0|2,0,0]=4 934 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,0,0,0,1,0|2,0,0]=4 935 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,0,0,0,1,0|2,0,0]=4 936 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,0,0,0,1,0|2,0,0]=4 937 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,0,0,0,1,0|2,0,0]=4 938 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,0,0,0,1,0|2,0,0]=4 939 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [1,0,0,0,1,0|1,0,0]=3 940 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [1,0,0,0,1,0|1,0,0]=3 941 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [1,0,0,0,1,0|1,0,0]=3 942 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,1,0|2,0,0]=4 943 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,0,0,0,2,0|0,0,0]=2 944 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,0,0,0,2,0|0,0,0]=2 945 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,0,0,0,2,0|0,0,0]=2 946 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,0,0,0,2,0|1,0,0]=3 947 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [0,0,0,0,2,0|1,0,1]=4 948 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,0,0,0,2,0|1,0,0]=3 949 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,0,0,0,2,0|0,0,0]=2 950 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,0,0,0,2,0|0,0,0]=2 951 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,0,0,0,2,0|0,0,0]=2 952 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,0,0,0,2,0|0,0,0]=2 953 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,0,0,0,2,0|0,0,0]=2 954 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,0,0,0,2,0|0,0,0]=2 955 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,0,0,0,2,0|0,0,0]=2 956 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,0,0,0,2,0|0,0,0]=2 957 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,0,0,0,2,0|2,0,0]=4 958 B8R0.18 CCC(C(=O)C)C(C)C MCULE-3028115393 [0,0,0,0,2,0|2,0,0]=4 959 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,0,0,0,2,0|1,0,0]=3 960 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,0,0,0,2,0|2,0,0]=4 961 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,0,0,0,2,0|2,0,0]=4 962 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,0,0,0,2,0|2,0,0]=4 963 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,0,0,0,2,0|2,0,0]=4 964 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,0,0,0,2,0|2,0,0]=4 965 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,0,0,0,2,0|1,0,0]=3 966 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,0,0,0,2,0|2,0,0]=4 967 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,0,0,0,2,0|2,0,0]=4 968 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,0,0,0,2,0|2,0,0]=4 969 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,0,0,0,2,0|2,0,0]=4 970 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,0,0,0,2,0|2,0,0]=4 971 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,0,0,0,2,0|2,0,0]=4 972 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,0,0,0,2,0|2,0,0]=4 973 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,0,0,0,2,0|2,0,0]=4 974 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,0,0,0,2,0|2,0,0]=4 975 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,0,0,0,2,0|2,0,0]=4 976 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,0,0,0,2,0|2,0,0]=4 977 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,0,0,0,2,0|2,0,0]=4 978 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,0,0,0,2,0|2,0,0]=4 979 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,0,0,0,2,0|2,0,0]=4 980 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,0,0,0,2,0|2,0,0]=4 981 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [0,0,0,0,2,0|2,0,0]=4 982 B10R0.96 CC(C)CC(=O)NCC(=O)O MCULE-8338157738 [1,0,0,0,0,1|1,0,1]=4 983 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [1,0,0,0,0,1|0,0,0]=2 984 B10R0.84 CCC(CCC(C)C)C(=O)N MCULE-9855457734 [0,0,0,0,1,1|2,0,0]=4 985 B10R0.84 CCC(CCC(C)C)C(=O)O MCULE-5167744478 [0,0,0,0,1,1|1,0,0]=3