0 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.19 CC(C)C1(CC1)N MCULE-4070811283 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.19 CC(C)C1(CC1)N MCULE-8353733005 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.19 CC(C)C1(CC1)O MCULE-3516849541 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.19 CC(N)C1(CC1)C MCULE-5748183771 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.19 CC(N)C1(CC1)C MCULE-5829560197 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.19 CC(N)C1(CC1)O MCULE-9318031577 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.19 CC1(CC1)B(O)O MCULE-4256202693 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.19 CC1(CC1)C(=N)N MCULE-1351695314 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.19 CC1(CC1)C(=N)N MCULE-5893769308 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,0,0,0|1,0,0]=1 29 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,0,0,0|0,0,0]=0 30 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,0,0,0|0,0,0]=0 31 B7R1.19 NC1(CC1)C(F)F MCULE-3563388458 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.19 NC1(CC1)C(F)F MCULE-3701462806 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,0,0,0|1,0,0]=1 38 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.7 C#CC1(CC1)C MCULE-7036163809 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.7 C#CC1(CC1)N MCULE-2111588628 [1,0,0,0,0,0|1,0,1]=3 41 B6R1.7 C#CC1(CC1)N MCULE-6233600820 [1,0,0,0,0,0|1,0,1]=3 42 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [1,0,0,0,0,0|2,0,1]=4 43 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.7 CC1(CC1)C#N MCULE-1818955537 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [1,0,0,0,0,0|1,0,0]=2 47 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.7 CC1(CC1)CN MCULE-2933267296 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.7 CC1(CC1)CN MCULE-6561269012 [1,0,0,0,0,0|2,0,1]=4 51 B6R1.7 CC1(CC1)CO MCULE-9292264802 [1,0,0,0,0,0|1,0,1]=3 52 B6R1.7 CC1(CO1)CO MCULE-1000912721 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.7 CCC1(CC1)N MCULE-3440893089 [1,0,0,0,0,0|1,0,1]=3 54 B6R1.7 CCC1(CC1)N MCULE-8936334501 [1,0,0,0,0,0|1,0,1]=3 55 B6R1.7 CCC1(CC1)O MCULE-7491011687 [1,0,0,0,0,0|2,0,1]=4 56 B6R1.7 CNC1(CC1)C MCULE-5271625822 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.7 CNC1(CC1)C MCULE-9473196269 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [1,0,0,0,0,0|2,0,1]=4 64 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.7 N#CC1(CC1)Br MCULE-4275489303 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.7 N#CC1(CC1)N MCULE-2345532836 [1,0,0,0,0,0|1,0,1]=3 67 B6R1.7 N#CC1(CC1)N MCULE-6976493694 [1,0,0,0,0,0|1,0,1]=3 68 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.7 NC1(CC1)CF MCULE-3560419554 [1,0,0,0,0,0|1,0,1]=3 70 B6R1.7 NC1(CC1)CF MCULE-5037711402 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.7 NC1(CC1)CO MCULE-5890036745 [1,0,0,0,0,0|0,0,1]=2 72 B6R1.7 NC1(CC1)CO MCULE-6476116416 [1,0,0,0,0,0|0,0,1]=2 73 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.7 NCC1(CC1)F MCULE-6736176817 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.7 NCC1(CC1)F MCULE-7735967320 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.7 NCC1(CC1)N MCULE-4980820376 [1,0,0,0,0,0|1,0,1]=3 77 B6R1.7 NCC1(CC1)N MCULE-7033999881 [1,0,0,0,0,0|1,0,1]=3 78 B6R1.7 NCC1(CC1)O MCULE-7633241990 [1,0,0,0,0,0|2,0,1]=4 79 B6R1.7 NCC1(CC1)O MCULE-8264909288 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [1,0,0,0,0,0|1,0,0]=2 81 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [1,0,0,0,0,0|1,0,1]=3 82 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [1,0,0,0,0,0|1,0,1]=3 83 B6R1.7 OCC1(CC1)F MCULE-9539268105 [1,0,0,0,0,0|1,0,1]=3 84 B6R1.7 OCC1(CC1)O MCULE-7768871656 [1,0,0,0,0,0|1,0,1]=3 85 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,0,0,0|1,0,0]=2 88 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.11 CC(Cl)C1CC1 MCULE-7361335709 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [1,0,0,0,0,0|2,0,1]=4 91 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [1,0,0,0,0,0|2,0,1]=4 93 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [1,0,0,0,0,0|2,0,1]=4 94 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [1,0,0,0,0,0|1,0,1]=3 95 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.11 CN(C)C1CC1 MCULE-5891640069 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.11 CN(C)C1CC1 MCULE-6751529979 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.11 CN(N)C1CC1 MCULE-4590166937 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.11 CN(N)C1CC1 MCULE-7317282450 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [1,0,0,0,0,0|2,0,1]=4 101 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [1,0,0,0,0,0|2,0,1]=4 102 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [1,0,0,0,0,0|2,0,1]=4 104 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [1,0,0,0,0,0|1,0,1]=3 105 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [1,0,0,0,0,0|2,0,1]=4 106 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [1,0,0,0,0,0|2,0,1]=4 107 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [1,0,0,0,0,0|2,0,1]=4 108 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [1,0,0,0,0,0|2,0,1]=4 109 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [1,0,0,0,0,0|1,0,1]=3 110 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [1,0,0,0,0,0|2,0,0]=3 111 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [1,0,0,0,0,0|2,0,0]=3 112 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,0,0,0|1,0,0]=2 113 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,0,0,0|2,0,0]=3 114 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,0,0,0|1,1,0]=3 115 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,0,0,0|1,0,0]=2 116 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,0,0,0|0,0,0]=1 117 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,0,0,0|1,0,0]=2 118 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,0,0,0|1,0,0]=2 119 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,0,0,0|1,0,0]=2 120 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,0,0,0|1,0,0]=2 121 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,0,0,0|1,0,0]=2 122 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,0,0,0|1,0,0]=2 123 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,0,0,0|1,0,1]=3 124 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,0,0,0|1,0,1]=3 125 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,0,0,0|1,0,1]=3 126 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,0,0,0|1,0,1]=3 127 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,0,0,0|1,0,1]=3 128 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,0,0,0|1,0,1]=3 129 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,0,0,0|1,0,1]=3 130 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,0,0,0|1,0,1]=3 131 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,0,0,0|1,0,0]=2 132 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [1,0,0,0,0,0|1,0,1]=3 133 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [1,0,0,0,0,0|1,0,1]=3 134 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.39 CC1(CC1)C(=O)CBr MCULE-9435700009 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.39 CC1(CC1)C(=O)CCl MCULE-5713988608 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.39 CC1(CC1)C(=O)CN MCULE-2015892200 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.39 CC1(CC1)C(=O)NN MCULE-2792690923 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.39 CC1(CC1)C(O)CN MCULE-6261487507 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.39 CC1(CC1)C(O)CO MCULE-9588411733 [0,1,0,0,0,0|1,0,2]=4 147 B8R1.39 CNC(=O)C1(CC1)N MCULE-5670276563 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.39 COC(=O)C1(CC1)Br MCULE-3569653934 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.39 COC(=O)C1(CC1)C MCULE-1688202939 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.39 COC(=O)C1(CC1)F MCULE-5595108152 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.39 COC(=O)C1(CC1)N MCULE-7742849761 [0,1,0,0,0,0|0,0,0]=1 152 B8R1.39 COC(=O)C1(CC1)N MCULE-8414845491 [0,1,0,0,0,0|0,0,0]=1 153 B8R1.39 COC(=O)C1(CC1)O MCULE-3205655719 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.39 COC(=O)C1(CO1)C MCULE-9345493771 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.39 NNC(=O)C1(CC1)O MCULE-4091057496 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.39 O=C(CBr)C1(CC1)Cl MCULE-8877577446 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.39 O=C(CBr)C1(CC1)F MCULE-9417589315 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.39 O=C(CCl)C1(CC1)Cl MCULE-5430408633 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.39 O=C(CCl)C1(CC1)F MCULE-4434710140 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.39 OCC(O)C1(CC1)F MCULE-2454090628 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.63 C#CC1(CC1)C(=O)O MCULE-6621925501 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.63 C=CC1(CC1)C(=O)O MCULE-8050617761 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.63 CC(=O)C1(CC1)C#N MCULE-1395942914 [0,1,0,0,0,0|1,0,1]=3 164 B8R1.63 CC(=O)C1(CC1)CO MCULE-4289679044 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.63 CC(C)C1(CC1)CN MCULE-3968133975 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.63 CC(C)C1(CC1)CN MCULE-4189001122 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.63 CC(O)C1(CC1)CO MCULE-8718566573 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.63 CCC1(CC1)C(=O)O MCULE-7607784304 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.63 CN(C)C1(CC1)CN MCULE-6450579010 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.63 CNC1(CC1)C(=O)O MCULE-3174431935 [0,1,0,0,0,0|0,0,0]=1 171 B8R1.63 CNC1(CC1)C(=O)O MCULE-5558985564 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.63 COC1(CC1)C(=O)O MCULE-2609996745 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.63 CS(=O)C1(CC1)CN MCULE-9428444574 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.63 CSC1(CC1)C(=O)O MCULE-9737877956 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.63 N#CC1(CC1)C(=O)N MCULE-9087909658 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.63 N#CC1(CC1)C(=O)O MCULE-9709025654 [0,1,0,0,0,0|0,0,1]=2 177 B8R1.63 NC(=O)C1(CC1)CO MCULE-1137522312 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.63 NCC1(CC1)C(=O)N MCULE-4765639788 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.63 NCC1(CC1)C(=O)N MCULE-5417302237 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.63 NCC1(CC1)C(=O)O MCULE-1804159571 [0,1,0,0,0,0|0,0,0]=1 181 B8R1.63 NCC1(CC1)C(=O)O MCULE-4552998222 [0,1,0,0,0,0|0,0,0]=1 182 B8R1.63 NCC1(CC1)C(F)F MCULE-4439000685 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.63 O=C(O)C1(CC1)CBr MCULE-6158877293 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.63 O=C(O)C1(CC1)CF MCULE-8400153389 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.63 O=C(O)C1(CC1)CO MCULE-4753217590 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.63 O=C([O-])C1(CC1)CO MCULE-5718678066 [0,1,0,0,0,0|1,0,1]=3 187 B8R1.63 O=CC1(CC1)C(=O)O MCULE-8329913880 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.70 CC(C)(C)C1(CC1)N MCULE-1678842721 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.70 CC(C)(C)C1(CC1)N MCULE-3342465532 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.70 CC(F)(F)C1(CC1)N MCULE-2321044540 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.70 CC(F)(F)C1(CC1)N MCULE-9776696177 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.70 CC1(CC1)S(=O)(=O)Cl MCULE-7647328180 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.70 CC1(CC1)S(=O)(=O)N MCULE-4155594554 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.70 CC1(CC1)S(=O)(=O)[O-] MCULE-5797871186 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.70 CC1(CC1)S(=O)(=O)[O-] MCULE-8392697569 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.70 NC1(CC1)C(F)(F)F MCULE-3282940659 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.70 NC1(CC1)C(F)(F)F MCULE-7849778458 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.70 NS(=O)(=O)C1(CC1)Br MCULE-1427120451 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.70 NS(=O)(=O)C1(CC1)Cl MCULE-3825768806 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.70 NS(=O)(=O)C1(CC1)F MCULE-9043858709 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.70 O=S(=O)(Cl)C1(CC1)Br MCULE-2549838149 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.70 O=S(=O)(Cl)C1(CC1)Cl MCULE-6772094025 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,1,0,0,0|2,0,0]=3 205 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,1,0,0,0|2,0,0]=3 206 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,0,1,0,0,0|3,0,0]=4 212 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,1,0,0,0|1,0,1]=3 214 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,1,0,0,0|1,0,2]=4 217 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,1,0,0,0|0,0,2]=3 218 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,1,0,0,0|0,0,2]=3 219 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,1,0,0,0|0,0,2]=3 220 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,1,0,0,0|0,0,2]=3 221 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,1,0,0,0|1,0,2]=4 222 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,1,0,0,0|1,0,2]=4 223 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,1,0,0,0|0,0,2]=3 224 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,1,0,0,0|0,0,2]=3 225 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,1,0,0,0|0,0,2]=3 226 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,1,0,0,0|1,0,2]=4 227 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,1,0,0,0|1,0,2]=4 228 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,1,0,0,0|1,0,2]=4 229 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,1,0,0,0|0,0,2]=3 230 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,1,0,0,0|0,0,2]=3 231 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,1,0,0,0|0,0,2]=3 232 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,1,0,0,0|0,0,2]=3 233 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,1,0,0,0|3,0,0]=4 234 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,1,0,0,0|2,0,0]=3 236 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,1,0,0,0|2,0,1]=4 237 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,1,0,0,0|2,0,0]=3 239 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,1,0,0,0|2,0,0]=3 240 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,1,0,0,0|2,0,0]=3 241 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,1,0,0,0|2,0,0]=3 242 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,0,1,0,0,0|2,0,1]=4 245 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,1,0,0,0|3,0,0]=4 249 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,1,0,0,0|3,0,0]=4 250 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,1,0,0,0|3,0,0]=4 251 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,1,0,0,0|1,0,2]=4 252 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,1,0,0,0|1,0,2]=4 253 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,1,0,0,0|1,0,2]=4 254 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,1,0,0,0|1,0,2]=4 255 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,1,0,0,0|1,0,2]=4 256 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,1,0,0,0|2,0,1]=4 257 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,1,0,0,0|1,0,1]=3 258 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,1,0,0,0|1,0,2]=4 259 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,1,0,0,0|2,0,0]=3 260 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,1,0,0,0|2,0,0]=3 261 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,1,0,0,0|2,0,0]=3 263 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,1,0,0,0|1,0,0]=2 264 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,0,1,0,0,0|3,0,0]=4 266 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,0,1,0,0,0|3,0,0]=4 267 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,1,0,0,0|2,0,0]=3 270 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,1,0,0,0|1,0,0]=2 271 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,1,0,0,0|1,0,0]=2 272 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,1,0,0,0|2,1,0]=4 273 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,0,1,0,0,0|2,0,1]=4 274 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,1,0,0,0|1,0,0]=2 277 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,1,0,0,0|1,0,0]=2 278 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,1,0,0,0|1,0,0]=2 279 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,1,0,0,0|1,0,0]=2 280 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,1,0,0,0|1,0,0]=2 281 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,1,0,0,0|1,0,0]=2 282 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,1,0,0,0|0,0,0]=1 283 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,1,0,0,0|0,0,0]=1 284 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,1,0,0,0|0,0,0]=1 285 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,1,0,0,0|0,0,0]=1 286 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,0,1,0,0,0|2,0,1]=4 287 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,0,1,0,0,0|2,0,1]=4 288 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,1,0,0,0|1,0,1]=3 289 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,1,0,0,0|1,0,1]=3 290 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,0,1,0,0,0|2,0,1]=4 292 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,1,0,0,0|2,0,0]=3 293 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,1,0,0,0|1,0,0]=2 294 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,1,0,0,0|1,0,0]=2 295 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,1,0,0,0|1,0,1]=3 296 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,1,0,0,0|1,0,1]=3 297 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,0,1,0,0,0|2,0,1]=4 298 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,1,0,0,0|2,0,0]=3 299 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,1,0,0,0|1,0,0]=2 300 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,1,0,0,0|3,0,0]=4 301 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,1,0,0,0|2,0,0]=3 303 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,1,0,0,0|1,0,0]=2 305 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,1,0,0,0|1,0,0]=2 306 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,1,0,0,0|2,0,0]=3 307 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,1,0,0,0|2,0,0]=3 308 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,1,0,0,0|1,0,0]=2 309 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,1,0,0,0|1,0,0]=2 310 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,1,0,0,0|1,0,0]=2 311 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,1,0,0,0|1,0,0]=2 312 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,1,0,0,0|1,0,0]=2 313 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,1,0,0,0|1,0,0]=2 314 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,1,0,0,0|1,0,0]=2 315 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,1,0,0,0|1,0,0]=2 316 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,1,0,0,0|0,0,0]=1 317 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,1,0,0,0|0,0,0]=1 318 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,1,0,0,0|0,0,0]=1 319 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,1,0,0,0|0,0,0]=1 320 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,1,0,0,0|1,0,1]=3 321 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,1,0,0,0|1,0,1]=3 322 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,1,0,0,0|1,0,0]=2 323 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,1,0,0,0|1,0,0]=2 324 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,1,0,0,0|1,0,0]=2 325 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,1,0,0,0|1,0,0]=2 326 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,1,0,0,0|1,0,0]=2 327 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,1,0,0,0|1,0,0]=2 328 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,1,0,0,0|1,0,0]=2 329 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,1,0,0,0|1,0,0]=2 330 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,1,0,0,0|1,0,0]=2 331 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,1,0,0,0|1,0,0]=2 332 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,1,0,0,0|1,0,0]=2 333 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,1,0,0,0|0,0,0]=1 334 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,1,0,0,0|0,0,0]=1 335 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,1,0,0,0|0,0,0]=1 336 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,1,0,0,0|0,0,0]=1 337 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,1,0,0,0|0,1,0]=2 338 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,1,0,0,0|0,1,0]=2 339 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,0,1,0,0,0|2,0,1]=4 341 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,1,0,0,0|1,0,1]=3 342 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,1,0,0,0|1,0,1]=3 343 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,1,0,0,0|1,0,1]=3 344 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,1,0,0,0|1,0,1]=3 345 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,1,0,0,0|1,0,1]=3 346 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,1,0,0,0|1,0,1]=3 347 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,1,0,0,0|1,0,0]=2 348 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,1,0,0,0|1,0,0]=2 349 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,1,0,0,0|1,0,1]=3 350 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,1,0,0,0|2,0,1]=4 351 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,1,0,0,0|3,0,0]=4 352 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,1,0,0,0|3,0,0]=4 353 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,1,0,0,0|2,0,0]=3 355 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,1,0,0,0|2,0,0]=3 356 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,1,0,0,0|3,0,0]=4 357 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,1,0,0,0|2,0,0]=3 358 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,1,0,0,0|2,0,0]=3 359 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,1,0,0,0|2,0,0]=3 360 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,1,0,0,0|2,0,0]=3 361 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,1,0,0,0|2,0,0]=3 362 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,1,0,0,0|2,0,0]=3 363 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,1,0,0,0|2,0,0]=3 364 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,1,0,0,0|2,0,1]=4 365 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,0,1,0,0,0|3,0,0]=4 366 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,1,0,0,0|2,0,0]=3 367 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,0,1,0,0,0|3,0,0]=4 368 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,1,0,0,0|3,0,0]=4 369 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,1,0,0,0|2,0,0]=3 370 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,0,1,0,0,0|3,0,0]=4 371 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,1,0,0,0|2,0,0]=3 373 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,1,0,0,0|2,0,0]=3 374 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,1,0,0,0|2,0,0]=3 375 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,1,0,0,0|3,0,0]=4 376 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,1,0,0,0|2,0,0]=3 377 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,1,0,0,0|2,0,0]=3 378 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,1,0,0,0|2,0,0]=3 382 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,1,0,0,0|2,0,0]=3 383 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,0,1,0,0,0|2,0,1]=4 384 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,0,1,0,0,0|2,0,1]=4 385 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,0,1,0,0,0|2,0,1]=4 386 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,0,1,0,0,0|2,0,1]=4 387 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,0,1,0,0,0|2,0,1]=4 388 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,0,1,0,0,0|2,0,1]=4 389 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,1,0,0,0|3,0,0]=4 390 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,1,0,0,0|3,0,0]=4 391 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,1,0,0,0|2,0,0]=3 392 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,1,0,0,0|2,0,0]=3 393 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,1,0,0,0|2,0,0]=3 394 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,1,0,0,0|2,0,0]=3 395 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,1,0,0,0|2,0,0]=3 396 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,1,0,0,0|2,0,0]=3 397 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,1,0,0,0|2,0,1]=4 398 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,0,1,0,0,0|2,0,1]=4 399 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,0,1,0,0,0|2,0,1]=4 400 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,0,1,0,0,0|2,0,1]=4 401 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,0,1,0,0,0|2,0,1]=4 402 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,0,1,0,0,0|2,0,1]=4 403 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,1,0,0,0|3,0,0]=4 404 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,1,0,0,0|3,0,0]=4 405 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,0,1,0,0,0|2,0,1]=4 406 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,1,0,0,0|3,0,0]=4 407 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,1,0,0,0|3,0,0]=4 408 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,1,0,0,0|2,0,0]=3 409 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,1,0,0,0|2,0,0]=3 411 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,1,0,0,0|2,0,0]=3 412 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,1,0,0,0|2,0,0]=3 413 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,1,0,0,0|2,0,0]=3 414 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,1,0,0,0|2,0,0]=3 415 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,1,0,0,0|2,0,0]=3 416 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,1,0,0,0|2,0,0]=3 417 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,1,0,0,0|2,0,0]=3 418 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,1,0,0,0|2,0,0]=3 419 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,1,0,0,0|2,0,0]=3 420 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,1,0,0,0|1,0,0]=2 421 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,1,0,0,0|1,0,0]=2 422 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,1,0,0,0|1,0,0]=2 423 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,1,0,0,0|1,0,0]=2 424 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,1,0,0,0|1,0,0]=2 425 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,1,0,0,0|1,0,0]=2 426 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,1,0,0,0|1,0,0]=2 427 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,1,0,0,0|1,0,0]=2 428 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,1,0,0,0|1,0,0]=2 429 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,1,0,0,0|1,0,0]=2 430 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,1,0,0,0|2,0,0]=3 431 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,1,0,0,0|2,0,0]=3 432 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,1,0,0,0|2,0,0]=3 433 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,1,0,0,0|2,0,0]=3 434 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,1,0,0,0|1,0,0]=2 435 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,1,0,0,0|1,0,0]=2 436 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,1,0,0,0|1,0,0]=2 437 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,1,0,0,0|1,0,0]=2 438 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,1,0,0,0|1,0,0]=2 439 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,1,0,0,0|3,0,0]=4 440 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,1,0,0,0|3,0,0]=4 441 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,1,0,0,0|2,0,0]=3 442 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,1,0,0,0|2,0,0]=3 443 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,1,0,0,0|2,0,0]=3 444 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,1,0,0,0|2,0,0]=3 445 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,1,0,0,0|2,0,0]=3 446 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,1,0,0,0|2,0,0]=3 447 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,1,0,0,0|1,0,0]=2 448 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,1,0,0,0|1,0,0]=2 449 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,1,0,0,0|1,0,0]=2 450 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,1,0,0,0|2,0,0]=3 451 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,1,0,0,0|2,0,0]=3 452 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,1,0,0,0|2,0,0]=3 453 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,1,0,0,0|2,0,0]=3 454 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,1,0,0,0|2,0,0]=3 455 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,1,0,0,0|2,0,0]=3 456 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,1,0,0,0|1,0,0]=2 457 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,1,0,0,0|1,0,0]=2 458 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,1,0,0,0|1,0,0]=2 459 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,1,0,0,0|1,0,0]=2 460 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,1,0,0,0|1,0,0]=2 461 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,1,0,0,0|1,0,0]=2 462 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,1,0,0,0|2,0,0]=3 463 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,1,0,0,0|2,0,0]=3 464 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,1,0,0,0|1,0,0]=2 465 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,1,0,0,0|1,0,0]=2 466 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,1,0,0,0|1,0,0]=2 467 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,1,0,0,0|1,0,0]=2 468 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,1,0,0,0|1,0,0]=2 469 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,1,0,0,0|1,0,0]=2 470 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,1,0,0,0|1,0,0]=2 471 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,1,0,0,0|1,0,0]=2 472 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,1,0,0,0|1,0,0]=2 473 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,1,0,0,0|1,0,0]=2 474 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,1,0,0,0|1,0,0]=2 475 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,1,0,0,0|1,0,0]=2 476 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,1,0,0,0|1,0,0]=2 477 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,1,0,0,0|1,0,0]=2 478 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,1,0,0,0|1,0,0]=2 479 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,1,0,0,0|1,0,0]=2 480 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,1,0,0,0|1,0,0]=2 481 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,1,0,0,0|1,0,0]=2 482 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,1,0,0,0|1,0,0]=2 483 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,1,0,0,0|1,0,0]=2 484 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,1,0,0,0|1,0,0]=2 485 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,1,0,0,0|1,0,0]=2 486 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,1,0,0,0|1,0,0]=2 487 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,1,0,0,0|1,0,0]=2 488 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,1,0,0,0|3,0,0]=4 489 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,1,0,0,0|3,0,0]=4 490 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,1,0,0,0|2,0,1]=4 491 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,1,0,0,0|2,0,1]=4 492 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,1,0,0,0|2,0,1]=4 493 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,1,0,0,0|2,0,1]=4 494 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,1,0,0,0|2,0,1]=4 495 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,1,0,0,0|2,0,0]=3 496 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,1,0,0,0|2,0,0]=3 497 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,1,0,0,0|2,0,0]=3 498 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,1,0,0,0|2,0,0]=3 499 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,1,0,0,0|2,0,0]=3 500 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,1,0,0,0|2,0,0]=3 501 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,1,0,0,0|2,0,0]=3 502 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,1,0,0,0|2,0,0]=3 503 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,1,0,0,0|2,0,0]=3 504 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,1,0,0,0|2,0,0]=3 505 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,1,0,0,0|2,0,0]=3 506 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,1,0,0,0|2,0,0]=3 507 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,1,0,0,0|2,0,0]=3 508 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,1,0,0,0|2,0,0]=3 509 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,1,0,0,0|2,0,0]=3 510 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,1,0,0,0|2,0,0]=3 511 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,1,0,0,0|2,0,0]=3 512 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,1,0,0,0|2,0,1]=4 513 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,1,0,0,0|0,0,2]=3 514 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,1,0,0,0|1,0,0]=2 515 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,1,0,0,0|2,0,0]=3 516 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,1,0,0,0|2,0,0]=3 517 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,1,0,0,0|1,0,0]=2 518 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,1,0,0,0|1,0,0]=2 519 B6R0.7 C=C(Br)C(C)(C)C MCULE-2463544596 [0,0,1,0,0,0|3,0,0]=4 520 B6R0.7 C=C(C)C(C)(C)C MCULE-9196090881 [0,0,1,0,0,0|3,0,0]=4 521 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [0,0,1,0,0,0|2,0,0]=3 522 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [0,0,1,0,0,0|2,0,0]=3 523 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [0,0,1,0,0,0|2,0,0]=3 524 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,0,1,0,0,0|1,0,0]=2 525 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,0,1,0,0,0|1,0,0]=2 526 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,0,1,0,0,0|2,0,0]=3 527 B6R0.7 CC(=O)C(C)(F)F MCULE-7856452896 [0,0,1,0,0,0|3,0,0]=4 528 B6R0.7 CC(=O)[Si](C)(C)C MCULE-2207276552 [0,0,1,0,0,0|2,1,0]=4 529 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,0,1,0,0,0|2,0,0]=3 530 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [0,0,1,0,0,0|2,0,0]=3 531 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [0,0,1,0,0,0|2,0,0]=3 532 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [0,0,1,0,0,0|2,0,0]=3 533 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,0,1,0,0,0|1,0,0]=2 534 B6R0.7 CC(C)(Br)N(=O)=O MCULE-3797855170 [0,0,1,0,0,0|2,0,1]=4 535 B6R0.7 CC(C)(C)B(O)O MCULE-9781009287 [0,0,1,0,0,0|2,0,1]=4 536 B6R0.7 CC(C)(C)C(=N)N MCULE-7680688413 [0,0,1,0,0,0|3,0,0]=4 537 B6R0.7 CC(C)(C)C(=N)N MCULE-8879048174 [0,0,1,0,0,0|3,0,0]=4 538 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [0,0,1,0,0,0|2,0,0]=3 539 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [0,0,1,0,0,0|2,0,0]=3 540 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,0,1,0,0,0|1,0,0]=2 541 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [0,0,1,0,0,0|1,0,1]=3 542 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [0,0,1,0,0,0|1,0,1]=3 543 B6R0.7 CC(C)(C)C(=S)N MCULE-3063566984 [0,0,1,0,0,0|2,1,0]=4 544 B6R0.7 CC(C)(C)N(=O)=O MCULE-5389027053 [0,0,1,0,0,0|2,0,1]=4 545 B6R0.7 CC(C)(C)S(=O)Cl MCULE-2395244349 [0,0,1,0,0,0|3,0,0]=4 546 B6R0.7 CC(C)(C)S(=O)N MCULE-4119217508 [0,0,1,0,0,0|3,0,0]=4 547 B6R0.7 CC(C)(C)S(=O)N MCULE-8120769030 [0,0,1,0,0,0|3,0,0]=4 548 B6R0.7 CC(C)(C)S(=O)O MCULE-4329334255 [0,0,1,0,0,0|2,0,0]=3 549 B6R0.7 CC(C)(C)S(=O)[O-] MCULE-9734265000 [0,0,1,0,0,0|2,0,1]=4 550 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-7239306561 [0,0,1,0,0,0|3,0,0]=4 551 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-8191878313 [0,0,1,0,0,0|3,0,0]=4 552 B6R0.7 CC(C)(C)[S@](=O)N MCULE-1205816977 [0,0,1,0,0,0|3,0,0]=4 553 B6R0.7 CC(C)(C)[S@](=O)N MCULE-6974247624 [0,0,1,0,0,0|3,0,0]=4 554 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [0,0,1,0,0,0|2,0,0]=3 555 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,0,1,0,0,0|1,0,0]=2 556 B6R0.7 CC(C)(Cl)N(=O)=O MCULE-9123451241 [0,0,1,0,0,0|2,0,1]=4 557 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [0,0,1,0,0,0|2,0,0]=3 558 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [0,0,1,0,0,0|2,0,0]=3 559 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,0,1,0,0,0|1,0,0]=2 560 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [0,0,1,0,0,0|2,0,0]=3 561 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [0,0,1,0,0,0|1,0,0]=2 562 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,0,1,0,0,0|1,0,0]=2 563 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,0,1,0,0,0|1,0,0]=2 564 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,0,1,0,0,0|0,0,0]=1 565 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,0,1,0,0,0|0,0,0]=1 566 B6R0.7 CC(C)(N)C(F)F MCULE-3533657881 [0,0,1,0,0,0|2,0,1]=4 567 B6R0.7 CC(C)(N)C(F)F MCULE-6482627990 [0,0,1,0,0,0|2,0,1]=4 568 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,0,1,0,0,0|3,0,0]=4 569 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,0,1,0,0,0|3,0,0]=4 570 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,0,1,0,0,0|2,0,0]=3 571 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,0,1,0,0,0|1,0,0]=2 572 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,0,1,0,0,0|1,0,0]=2 573 B6R0.7 CC(C)C(C)(C)N MCULE-1087702564 [0,0,1,0,0,0|2,0,1]=4 574 B6R0.7 CC(C)C(C)(C)N MCULE-7970243446 [0,0,1,0,0,0|2,0,1]=4 575 B6R0.7 CC(C)C(C)(C)N MCULE-9070308251 [0,0,1,0,0,0|2,0,1]=4 576 B6R0.7 CC(C)C(C)(C)N MCULE-9504763687 [0,0,1,0,0,0|2,0,1]=4 577 B6R0.7 CC(Cl)(Cl)C(=O)Cl MCULE-8935732005 [0,0,1,0,0,0|3,0,0]=4 578 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,0,1,0,0,0|2,0,0]=3 579 B6R0.7 CC(Cl)(Cl)C(=O)[O-] MCULE-7677513008 [0,0,1,0,0,0|2,0,1]=4 580 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,0,1,0,0,0|2,0,0]=3 581 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [0,0,1,0,0,0|3,0,0]=4 582 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,0,1,0,0,0|2,0,0]=3 583 B6R0.7 CC(F)(F)C(=O)[O-] MCULE-1039544757 [0,0,1,0,0,0|2,0,1]=4 584 B6R0.7 CC(F)(F)C(=S)O MCULE-6682853344 [0,0,1,0,0,0|2,1,0]=4 585 B6R0.7 CC(O)C(C)(C)C MCULE-7642386536 [0,0,1,0,0,0|2,0,1]=4 586 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [0,0,1,0,0,0|1,0,1]=3 587 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [0,0,1,0,0,0|1,0,1]=3 588 B6R0.7 CC(O)C(C)(C)O MCULE-6808101269 [0,0,1,0,0,0|2,0,1]=4 589 B6R0.7 CS(=O)C(C)(C)C MCULE-5479134400 [0,0,1,0,0,0|3,0,0]=4 590 B6R0.7 C[C@@H](O)C(C)(C)C MCULE-7929838583 [0,0,1,0,0,0|2,0,1]=4 591 B6R0.7 C[C@H](O)C(C)(C)C MCULE-8207064949 [0,0,1,0,0,0|2,0,1]=4 592 B6R0.7 C[C@H](O)C(C)(C)O MCULE-5048641902 [0,0,1,0,0,0|2,0,1]=4 593 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,0,1,0,0,0|3,0,0]=4 594 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,0,1,0,0,0|3,0,0]=4 595 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,0,1,0,0,0|3,0,0]=4 596 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,0,1,0,0,0|3,0,0]=4 597 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,0,1,0,0,0|3,0,0]=4 598 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,0,1,0,0,0|3,0,0]=4 599 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,0,1,0,0,0|3,0,0]=4 600 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,0,1,0,0,0|3,0,0]=4 601 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,0,1,0,0,0|3,0,0]=4 602 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,0,1,0,0,0|3,0,0]=4 603 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,0,1,0,0,0|3,0,0]=4 604 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,0,1,0,0,0|3,0,0]=4 605 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,0,1,0,0,0|3,0,0]=4 606 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,0,1,0,0,0|3,0,0]=4 607 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,0,1,0,0,0|3,0,0]=4 608 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,0,1,0,0,0|3,0,0]=4 609 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,0,1,0,0,0|3,0,0]=4 610 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,0,1,0,0,0|3,0,0]=4 611 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,0,1,0,0,0|3,0,0]=4 612 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,0,1,0,0,0|3,0,0]=4 613 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,0,1,0,0,0|3,0,0]=4 614 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,0,1,0,0,0|3,0,0]=4 615 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,0,1,0,0,0|3,0,0]=4 616 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,0,1,0,0,0|3,0,0]=4 617 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,0,1,0,0,0|3,0,0]=4 618 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,0,1,0,0,0|3,0,0]=4 619 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,0,1,0,0,0|3,0,0]=4 620 B8R2.19 O=C1CCC12CC2 MCULE-6343718897 [0,0,0,1,0,0|2,0,0]=3 621 B8R2.19 OC1CCC12CC2 MCULE-2855833660 [0,0,0,1,0,0|2,0,1]=4 622 B8R2.41 NC1(CC1)C2CC2 MCULE-3785357213 [0,0,0,1,0,0|2,0,1]=4 623 B8R2.41 NC1(CC1)C2CC2 MCULE-5862851858 [0,0,0,1,0,0|2,0,1]=4 624 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,0,0,0,0,1|2,0,0]=3 625 B8R1.42 CC(=O)OC1(CC1)C MCULE-8484243192 [0,0,0,0,0,1|2,0,0]=3 626 B8R1.42 CC(C)CC1(CC1)N MCULE-6063357206 [0,0,0,0,0,1|2,0,1]=4 627 B8R1.42 CC(C)CC1(CC1)N MCULE-8450584368 [0,0,0,0,0,1|2,0,1]=4 628 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,0,0,0,0,1|1,0,0]=2 629 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,0,0,0,0,1|2,0,0]=3 630 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,0,0,0,0,1|3,0,0]=4 631 B8R1.42 CN(C)CC1(CC1)N MCULE-7003778162 [0,0,0,0,0,1|3,0,0]=4 632 B8R1.42 CN(C)CC1(CC1)N MCULE-7333812032 [0,0,0,0,0,1|3,0,0]=4 633 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,0,0,1|0,0,0]=1 634 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,0,0,1|0,0,0]=1 635 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,0,0,0,0,1|1,0,0]=2 636 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,0,0,0,0,1|2,0,0]=3 637 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,0,0,0,0,1|2,0,0]=3 638 B8R1.78 CC(=O)C1(CNC1)F MCULE-3665722852 [0,0,0,0,0,1|2,0,0]=3 639 B8R1.78 CC(=O)C1(CNC1)F MCULE-6096163194 [0,0,0,0,0,1|2,0,0]=3 640 B8R1.78 CC(=O)C1(COC1)C MCULE-3650835000 [0,0,0,0,0,1|2,0,0]=3 641 B8R1.78 CC(C)C1(CCC1)N MCULE-6914017446 [0,0,0,0,0,1|2,0,1]=4 642 B8R1.78 CC(O)C1(COC1)C MCULE-8955349534 [0,0,0,0,0,1|2,0,1]=4 643 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,0,0,0,0,1|2,0,0]=3 644 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,0,0,0,0,1|1,0,0]=2 645 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,0,0,0,0,1|1,0,0]=2 646 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,0,0,0,0,1|2,0,0]=3 647 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,0,0,0,0,1|2,0,0]=3 648 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,0,0,0,0,1|1,0,0]=2 649 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,0,0,0,0,1|1,0,0]=2 650 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,0,0,0,0,1|1,0,0]=2 651 B8R1.78 CC1(CSC1)N(=O)=O MCULE-7881889011 [0,0,0,0,0,1|2,0,1]=4 652 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,0,0,0,0,1|1,0,0]=2 653 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,0,0,0,0,1|2,0,0]=3 654 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,0,0,0,0,1|1,0,0]=2 655 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,0,0,0,0,1|1,0,0]=2 656 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,0,0,0,0,1|2,0,0]=3 657 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,0,0,0,0,1|2,0,0]=3 658 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,0,0,0,0,1|2,0,0]=3 659 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,0,0,0,0,1|1,0,0]=2 660 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,0,0,0,0,1|1,0,0]=2 661 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,0,0,0,0,1|1,0,0]=2 662 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,0,0,0,0,1|0,0,0]=1 663 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,0,0,0,0,1|0,0,0]=1 664 B8R1.78 NC1(CCC1)C(F)F MCULE-1817302854 [0,0,0,0,0,1|2,0,1]=4 665 B8R1.78 NC1(CCC1)C(F)F MCULE-7583183872 [0,0,0,0,0,1|2,0,1]=4 666 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,0,0,0,0,1|0,0,0]=1 667 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,0,0,0,0,1|0,0,0]=1 668 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,0,0,0,0,1|0,0,0]=1 669 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,0,0,0,0,1|0,0,0]=1 670 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,0,0,0,0,1|0,0,0]=1 671 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,0,0,0,0,1|1,0,0]=2 672 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,0,0,0,0,1|1,0,0]=2 673 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,0,0,0,0,1|1,0,0]=2 674 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,0,0,0,0,1|1,0,0]=2 675 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,0,0,0,0,1|1,0,0]=2 676 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,0,0,0,0,1|1,0,0]=2 677 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,0,0,0,0,1|1,0,0]=2 678 B8R1.78 O=N(=O)C1(CCC1)Br MCULE-5339530869 [0,0,0,0,0,1|2,0,1]=4 679 B8R1.78 O=N(=O)C1(COC1)F MCULE-3495062362 [0,0,0,0,0,1|2,0,1]=4 680 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,1,0,0,0|0,0,2]=4 681 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|0,0,2]=4 682 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,1,0,0,0|2,0,0]=4 683 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,1,0,0,0|0,0,2]=4 684 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,1,0,0,0|0,0,2]=4 685 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,1,0,0,0|2,0,0]=4 686 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,1,0,0,0|2,0,0]=4 687 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,1,0,0,0|2,0,0]=4 688 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,1,0,0,0|2,0,0]=4 689 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|2,0,0]=4 690 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|0,0,2]=4 691 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,1,0,0,0|1,0,1]=4 692 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|2,0,0]=4 693 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|2,0,0]=4 694 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|1,0,0]=3 695 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|1,0,0]=3 696 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|1,0,0]=3 697 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|0,0,0]=2 698 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|0,0,1]=3 699 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|0,0,1]=3 700 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|1,1,0]=4 701 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,1,0,0,0|0,1,0]=3 702 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,1,0,0,0|1,0,1]=4 703 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,1,0,0,0|1,0,1]=4 704 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,1,0,0,0|1,0,1]=4 705 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,1,0,0,0|1,0,1]=4 706 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,1,0,0,0|1,0,1]=4 707 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,1,0,0,0|1,0,1]=4 708 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,1,0,0,0|1,0,1]=4 709 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|2,0,0]=4 710 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|2,0,0]=4 711 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|2,0,0]=4 712 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|2,0,0]=4 713 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,1,0,0,0|2,0,0]=4 714 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|2,0,0]=4 715 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|2,0,0]=4 716 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,1,0,0,0|2,0,0]=4 717 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,1,0,0,0|2,0,0]=4 718 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|2,0,0]=4 719 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|2,0,0]=4 720 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|2,0,0]=4 721 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,1,0,0,0|1,0,0]=3 722 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,1,0,0,0|1,0,0]=3 723 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,1,0,0,0|1,0,1]=4 724 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,1,0,0,0|2,0,0]=4 725 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,1,0,0,0|2,0,0]=4 726 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|2,0,0]=4 727 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,1,0,0,0|1,0,0]=3 728 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,1,0,0,0|2,0,0]=4 729 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,1,0,0,0|2,0,0]=4 730 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|2,0,0]=4 731 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,1,0,0,0|1,0,0]=3 732 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,1,0,0,0|1,0,1]=4 733 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|2,0,0]=4 734 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|2,0,0]=4 735 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|2,0,0]=4 736 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|2,0,0]=4 737 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,1,0,0,0|2,0,0]=4 738 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|2,0,0]=4 739 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|2,0,0]=4 740 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|1,0,0]=3 741 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|1,0,0]=3 742 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|1,0,0]=3 743 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,1,0,0,0|1,0,1]=4 744 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,1,0,0,0|2,0,0]=4 745 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,1,0,0,0|2,0,0]=4 746 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,1,0,0,0|2,0,0]=4 747 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,1,0,0,0|2,0,0]=4 748 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,1,0,0,0|2,0,0]=4 749 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,1,0,0,0|2,0,0]=4 750 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,1,0,0,0|2,0,0]=4 751 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,1,0,0,0|2,0,0]=4 752 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,1,0,0,0|2,0,0]=4 753 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,1,0,0,0|2,0,0]=4 754 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|1,0,0]=3 755 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|1,0,0]=3 756 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|1,0,0]=3 757 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|1,0,0]=3 758 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|1,0,0]=3 759 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|1,0,0]=3 760 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,1,0,0,0|2,0,0]=4 761 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|1,0,1]=4 762 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,1,0,0,0|1,0,1]=4 763 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,1,0,0,0|1,0,1]=4 764 B5R0.3 C#CC(N)CC MCULE-2327605941 [1,0,1,0,0,0|1,0,1]=4 765 B5R0.3 C#CC(N)CC MCULE-3572771620 [1,0,1,0,0,0|1,0,1]=4 766 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|1,0,1]=4 767 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,1,0,0,0|2,0,0]=4 768 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,1,0,0,0|1,0,0]=3 769 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,1,0,0,0|1,0,0]=3 770 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,1,0,0,0|2,0,0]=4 771 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,1,0,0,0|2,0,0]=4 772 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,1,0,0,0|2,0,0]=4 773 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,1,0,0,0|2,0,0]=4 774 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,1,0,0,0|2,0,0]=4 775 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,1,0,0,0|2,0,0]=4 776 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,1,0,0,0|2,0,0]=4 777 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,1,0,0,0|2,0,0]=4 778 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,1,0,0,0|2,0,0]=4 779 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,1,0,0,0|2,0,0]=4 780 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,1,0,0,0|2,0,0]=4 781 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,1,0,0,0|2,0,0]=4 782 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,1,0,0,0|2,0,0]=4 783 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,1,0,0,0|1,0,1]=4 784 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,1,0,0,0|1,0,1]=4 785 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,1,0,0,0|1,0,0]=3 786 B5R0.3 CCC(Br)CO MCULE-7211805716 [1,0,1,0,0,0|1,0,1]=4 787 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,1,0,0,0|1,0,0]=3 788 B5R0.3 CCC(C)CO MCULE-6521026296 [1,0,1,0,0,0|1,0,1]=4 789 B5R0.3 CCC(C)NO MCULE-1247092627 [1,0,1,0,0,0|2,0,0]=4 790 B5R0.3 CCC(C)NO MCULE-6169819668 [1,0,1,0,0,0|2,0,0]=4 791 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,1,0,0,0|1,0,0]=3 792 B5R0.3 CCC(Cl)CO MCULE-1756262629 [1,0,1,0,0,0|1,0,1]=4 793 B5R0.3 CCC(N)C#N MCULE-1350483203 [1,0,1,0,0,0|1,0,1]=4 794 B5R0.3 CCC(N)C#N MCULE-3867024162 [1,0,1,0,0,0|1,0,1]=4 795 B5R0.3 CCC(N)CBr MCULE-3567691924 [1,0,1,0,0,0|1,0,1]=4 796 B5R0.3 CCC(N)CC MCULE-4261937519 [1,0,1,0,0,0|1,0,1]=4 797 B5R0.3 CCC(N)CC MCULE-5899128891 [1,0,1,0,0,0|1,0,1]=4 798 B5R0.3 CCC(N)CN MCULE-6911484065 [1,0,1,0,0,0|1,0,1]=4 799 B5R0.3 CCC(N)CN MCULE-8376506697 [1,0,1,0,0,0|1,0,1]=4 800 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,1,0,0,0|0,0,1]=3 801 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,1,0,0,0|0,0,1]=3 802 B5R0.3 CCC(O)CO MCULE-2488753438 [1,0,1,0,0,0|1,0,1]=4 803 B5R0.3 CCC(O)CO MCULE-7297282094 [1,0,1,0,0,0|1,0,1]=4 804 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,1,0,0,0|2,0,0]=4 805 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,0,1,0,0,0|1,0,1]=4 806 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,0,1,0,0,0|1,0,1]=4 807 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [1,0,1,0,0,0|1,0,1]=4 808 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [1,0,1,0,0,0|1,0,1]=4 809 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,1,0,0,0|0,0,1]=3 810 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,1,0,0,0|0,0,1]=3 811 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [1,0,1,0,0,0|1,0,1]=4 812 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [1,0,1,0,0,0|1,0,1]=4 813 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,0,1,0,0,0|1,0,1]=4 814 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,0,1,0,0,0|1,0,1]=4 815 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [1,0,1,0,0,0|1,0,1]=4 816 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [1,0,1,0,0,0|1,0,1]=4 817 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [1,0,1,0,0,0|1,0,1]=4 818 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [1,0,1,0,0,0|1,0,1]=4 819 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,1,0,0,0|0,0,1]=3 820 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,1,0,0,0|0,0,1]=3 821 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [1,0,1,0,0,0|1,0,1]=4 822 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [1,0,1,0,0,0|1,0,1]=4 823 B5R0.3 NC(CO)CF MCULE-3756808200 [1,0,1,0,0,0|1,0,1]=4 824 B5R0.3 NC(CO)CF MCULE-9468719402 [1,0,1,0,0,0|1,0,1]=4 825 B5R0.3 NC(CO)CO MCULE-1559988016 [1,0,1,0,0,0|1,0,1]=4 826 B5R0.3 NC(CO)CO MCULE-4954119952 [1,0,1,0,0,0|1,0,1]=4 827 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,0,1,0,0,0|1,0,1]=4 828 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,0,1,0,0,0|1,0,1]=4 829 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,0,1,0,0,0|1,0,1]=4 830 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,0,1,0,0,0|1,0,1]=4 831 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [1,0,1,0,0,0|1,0,1]=4 832 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [1,0,1,0,0,0|1,0,1]=4 833 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [1,0,1,0,0,0|1,0,1]=4 834 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [1,0,1,0,0,0|1,0,1]=4 835 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [1,0,1,0,0,0|1,0,1]=4 836 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [1,0,1,0,0,0|1,0,1]=4 837 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [1,0,1,0,0,0|1,0,1]=4 838 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [1,0,1,0,0,0|1,0,1]=4 839 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,1,0,0,0|2,0,0]=4 840 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,1,0,0,0|2,0,0]=4 841 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,1,0,0,0|2,0,0]=4 842 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,1,0,0,0|2,0,0]=4 843 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,1,0,0,0|0,0,2]=4 844 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,0,1,0,0,0|2,0,0]=4 845 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,1,0,0,0|1,0,1]=4 846 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,1,0,0,0|2,0,0]=4 847 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,1,0,0,0|1,0,0]=3 848 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,1,0,0,0|2,0,0]=4 849 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,1,0,0,0|2,0,0]=4 850 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,1,0,0,0|1,0,0]=3 851 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,1,0,0,0|1,0,0]=3 852 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,1,0,0,0|2,0,0]=4 853 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,1,0,0,0|2,0,0]=4 854 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,1,0,0,0|2,0,0]=4 855 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,1,0,0,0|2,0,0]=4 856 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,1,0,0,0|1,0,0]=3 857 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,1,0,0,0|1,0,0]=3 858 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,1,0,0,0|1,0,0]=3 859 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,1,0,0,0|1,0,0]=3 860 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,1,0,0,0|2,0,0]=4 861 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,1,0,0,0|2,0,0]=4 862 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,1,0,0,0|2,0,0]=4 863 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,1,0,0,0|1,0,0]=3 864 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,1,0,0,0|1,0,0]=3 865 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,0,1,0,0,0|1,0,1]=4 866 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,0,1,0,0,0|2,0,0]=4 867 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,0,1,0,0,0|2,0,0]=4 868 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,1,0,0,0|1,0,0]=3 869 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,1,0,0,0|1,0,0]=3 870 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,1,0,0,0|1,0,0]=3 871 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,1,0,0,0|0,0,0]=2 872 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,1,0,0,0|0,1,0]=3 873 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,1,0,0,0|1,1,0]=4 874 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,0,1,0,0,0|1,0,1]=4 875 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,0,1,0,0,0|1,0,1]=4 876 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,0,1,0,0,0|2,0,0]=4 877 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,1,0,0,0|1,0,0]=3 878 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,0,1,0,0,0|1,0,1]=4 879 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,0,1,0,0,0|1,0,1]=4 880 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,0,1,0,0,0|1,0,1]=4 881 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,0,1,0,0,0|1,0,1]=4 882 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,1,0,0,0|2,0,0]=4 883 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,1,0,0,0|2,0,0]=4 884 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,1,0,0,0|1,0,0]=3 885 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,1,0,0,0|1,0,0]=3 886 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,1,0,0,0|1,0,0]=3 887 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,1,0,0,0|2,0,0]=4 888 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,1,0,0,0|1,0,0]=3 889 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,1,0,0,0|1,0,0]=3 890 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,1,0,0,0|1,0,0]=3 891 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,1,0,0,0|1,0,0]=3 892 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,1,0,0,0|1,0,0]=3 893 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,1,0,0,0|1,0,0]=3 894 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,1,0,0,0|0,0,0]=2 895 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,1,0,0,0|0,0,0]=2 896 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,1,0,0,0|0,0,0]=2 897 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,1,0,0,0|0,0,0]=2 898 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,0,1,0,0,0|1,0,1]=4 899 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,0,1,0,0,0|1,0,1]=4 900 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,1,0,0,0|2,0,0]=4 901 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,1,0,0,0|2,0,0]=4 902 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,1,0,0,0|1,0,0]=3 903 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,1,0,0,0|1,0,0]=3 904 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,1,0,0,0|1,0,1]=4 905 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,1,0,0,0|1,0,1]=4 906 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,1,0,0,0|1,0,1]=4 907 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,1,0,0,0|2,0,0]=4 908 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,1,0,0,0|1,0,0]=3 909 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,1,0,0,0|2,0,0]=4 910 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,1,0,0,0|2,0,0]=4 911 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,1,0,0,0|1,0,0]=3 912 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,1,0,0,0|1,0,1]=4 913 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,1,0,0,0|2,0,0]=4 914 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,1,0,0,0|1,0,0]=3 915 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,1,0,0,0|1,0,0]=3 916 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,1,0,0,0|2,0,0]=4 917 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,1,0,0,0|1,0,0]=3 918 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,1,0,0,0|1,0,0]=3 919 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,1,0,0,0|2,0,0]=4 920 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,1,0,0,0|1,0,0]=3 921 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,1,0,0,0|1,0,0]=3 922 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,1,0,0,0|1,0,0]=3 923 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,1,0,0,0|1,0,0]=3 924 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,1,0,0,0|0,0,0]=2 925 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,1,0,0,0|0,0,0]=2 926 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,0,1,0,0,0|1,0,1]=4 927 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,0,1,0,0,0|1,0,1]=4 928 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,0,1,0,0,0|1,0,1]=4 929 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,0,1,0,0,0|1,0,1]=4 930 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,0,1,0,0,0|1,0,1]=4 931 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,1,0,0,0|2,0,0]=4 932 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,1,0,0,0|2,0,0]=4 933 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,1,0,0,0|1,0,0]=3 934 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,1,0,0,0|1,0,0]=3 935 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,1,0,0,0|1,0,1]=4 936 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,1,0,0,0|1,0,1]=4 937 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,1,0,0,0|1,0,1]=4 938 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,1,0,0,0|2,0,0]=4 939 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,1,0,0,0|1,0,0]=3 940 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,1,0,0,0|1,0,0]=3 941 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,1,0,0,0|1,0,0]=3 942 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,1,0,0,0|1,0,0]=3 943 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,1,0,0,0|2,0,0]=4 944 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,1,0,0,0|1,0,0]=3 945 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,1,0,0,0|1,0,0]=3 946 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,1,0,0,0|1,0,0]=3 947 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,1,0,0,0|1,0,0]=3 948 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,1,0,0,0|1,0,0]=3 949 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,1,0,0,0|1,0,0]=3 950 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,1,0,0,0|1,0,0]=3 951 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,1,0,0,0|1,0,0]=3 952 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,1,0,0,0|0,0,0]=2 953 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,1,0,0,0|0,0,0]=2 954 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,1,0,0,0|0,0,0]=2 955 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,1,0,0,0|0,0,0]=2 956 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,0,1,0,0,0|1,0,1]=4 957 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,0,1,0,0,0|1,0,1]=4 958 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,0,1,0,0,0|1,0,1]=4 959 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,0,1,0,0,0|1,0,1]=4 960 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,0,1,0,0,0|1,0,1]=4 961 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,0,1,0,0,0|1,0,1]=4 962 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,1,0,0,0|2,0,0]=4 963 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,1,0,0,0|1,0,0]=3 964 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,1,0,0,0|1,0,0]=3 965 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,1,0,0,0|1,0,1]=4 966 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,1,0,0,0|1,0,1]=4 967 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,1,0,0,0|1,0,1]=4 968 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,1,0,0,0|1,0,1]=4 969 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,1,0,0,0|1,0,1]=4 970 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,0,1,0,0,0|1,0,1]=4 971 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,0,1,0,0,0|1,0,1]=4 972 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,0,1,0,0,0|1,0,1]=4 973 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,0,1,0,0,0|1,0,1]=4 974 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,1,0,0,0|1,0,1]=4 975 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,1,0,0,0|1,0,0]=3 976 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,1,0,0,0|2,0,0]=4 977 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,1,0,0,0|2,0,0]=4 978 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,1,0,0,0|2,0,0]=4 979 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,1,0,0,0|2,0,0]=4 980 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,1,0,0,0|2,0,0]=4 981 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,1,0,0,0|2,0,0]=4 982 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,1,0,0,0|2,0,0]=4 983 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,1,0,0,0|2,0,0]=4 984 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,1,0,0,0|2,0,0]=4 985 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,1,0,0,0|2,0,0]=4 986 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,1,0,0,0|2,0,0]=4 987 B5R0.4 C#CC(C)(C)N MCULE-3908309106 [1,0,1,0,0,0|1,0,1]=4 988 B5R0.4 C#CC(C)(C)N MCULE-4795277170 [1,0,1,0,0,0|1,0,1]=4 989 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [1,0,1,0,0,0|2,0,0]=4 990 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [1,0,1,0,0,0|2,0,0]=4 991 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [1,0,1,0,0,0|1,0,0]=3 992 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [1,0,1,0,0,0|1,0,0]=3 993 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,0,1,0,0,0|2,0,0]=4 994 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [1,0,1,0,0,0|1,0,0]=3 995 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,0,1,0,0,0|1,0,1]=4 996 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [1,0,1,0,0,0|1,0,0]=3 997 B5R0.4 CC(C)(C)CO MCULE-4399535684 [1,0,1,0,0,0|1,0,1]=4 998 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [1,0,1,0,0,0|2,0,0]=4 999 B5R0.4 CC(C)(C)NO MCULE-4676405280 [1,0,1,0,0,0|2,0,0]=4 1000 B5R0.4 CC(C)(C)NO MCULE-6482556352 [1,0,1,0,0,0|2,0,0]=4 1001 B5R0.4 CC(C)(C)NO MCULE-7368313644 [1,0,1,0,0,0|2,0,0]=4 1002 B5R0.4 CC(C)(C)OO MCULE-2835127745 [1,0,1,0,0,0|2,0,0]=4 1003 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [1,0,1,0,0,0|1,0,0]=3 1004 B5R0.4 CC(C)(F)CO MCULE-1700621997 [1,0,1,0,0,0|1,0,1]=4 1005 B5R0.4 CC(C)(N)C#N MCULE-4837687196 [1,0,1,0,0,0|1,0,1]=4 1006 B5R0.4 CC(C)(N)C#N MCULE-7947575054 [1,0,1,0,0,0|1,0,1]=4 1007 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [1,0,1,0,0,0|1,0,1]=4 1008 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [1,0,1,0,0,0|1,0,1]=4 1009 B5R0.4 CC(C)(N)CF MCULE-3102233948 [1,0,1,0,0,0|1,0,1]=4 1010 B5R0.4 CC(C)(N)CF MCULE-9737357598 [1,0,1,0,0,0|1,0,1]=4 1011 B5R0.4 CC(C)(N)CN MCULE-4218187677 [1,0,1,0,0,0|1,0,1]=4 1012 B5R0.4 CC(C)(N)CN MCULE-6476068080 [1,0,1,0,0,0|1,0,1]=4 1013 B5R0.4 CC(C)(N)CO MCULE-4072416202 [1,0,1,0,0,0|0,0,1]=3 1014 B5R0.4 CC(C)(N)CO MCULE-4209651459 [1,0,1,0,0,0|0,0,1]=3 1015 B5R0.4 CC(C)(N)CO MCULE-6047079177 [1,0,1,0,0,0|0,0,1]=3 1016 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,0,1,0,0,0|1,0,0]=3 1017 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,0,1,0,0,0|1,0,1]=4 1018 B5R0.4 CC(C)(S)CO MCULE-6119329508 [1,0,1,0,0,0|1,0,1]=4 1019 B5R0.4 CCC(C)(C)N MCULE-5538333672 [1,0,1,0,0,0|1,0,1]=4 1020 B5R1.3 BrCC1CC1 MCULE-6057571576 [2,0,0,0,0,0|1,0,1]=4 1021 B5R1.3 C#CC1CC1 MCULE-8413731516 [2,0,0,0,0,0|1,0,1]=4 1022 B5R1.3 C=CC1CC1 MCULE-4323158851 [2,0,0,0,0,0|1,0,0]=3 1023 B5R1.3 C=CC1CO1 MCULE-1428696186 [2,0,0,0,0,0|2,0,0]=4 1024 B5R1.3 CNC1CC1 MCULE-4055097650 [2,0,0,0,0,0|2,0,0]=4 1025 B5R1.3 CNC1CC1 MCULE-8040280524 [2,0,0,0,0,0|2,0,0]=4 1026 B5R1.3 ClCC1CC1 MCULE-3906493674 [2,0,0,0,0,0|1,0,1]=4 1027 B5R1.3 FNC1CC1 MCULE-4155496114 [2,0,0,0,0,0|2,0,0]=4 1028 B5R1.3 ICC1CC1 MCULE-2390979991 [2,0,0,0,0,0|1,0,1]=4 1029 B5R1.3 N#CC1CC1 MCULE-1838359731 [2,0,0,0,0,0|1,0,1]=4 1030 B5R1.3 NCC1CC1 MCULE-5832294538 [2,0,0,0,0,0|1,0,1]=4 1031 B5R1.3 NCC1CC1 MCULE-9914994928 [2,0,0,0,0,0|1,0,1]=4 1032 B5R1.3 NNC1CC1 MCULE-3522729516 [2,0,0,0,0,0|2,0,0]=4 1033 B5R1.3 NNC1CC1 MCULE-7121199703 [2,0,0,0,0,0|2,0,0]=4 1034 B5R1.3 NNC1CC1 MCULE-8598538666 [2,0,0,0,0,0|2,0,0]=4 1035 B5R1.3 NOC1CC1 MCULE-5379816123 [2,0,0,0,0,0|2,0,0]=4 1036 B5R1.3 O=CC1CC1 MCULE-9773190262 [2,0,0,0,0,0|0,0,0]=2 1037 B5R1.3 OCC1CC1 MCULE-4492474357 [2,0,0,0,0,0|0,0,1]=3 1038 B5R1.3 OCC1CO1 MCULE-2158628585 [2,0,0,0,0,0|1,0,1]=4 1039 B5R1.3 OCC1CO1 MCULE-4063620133 [2,0,0,0,0,0|1,0,1]=4 1040 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [2,0,0,0,0,0|1,0,1]=4 1041 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [2,0,0,0,0,0|1,0,1]=4 1042 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [2,0,0,0,0,0|1,0,1]=4 1043 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [2,0,0,0,0,0|1,0,1]=4 1044 B5R1.3 SCC1CC1 MCULE-9557919804 [2,0,0,0,0,0|0,1,1]=4 1045 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [2,0,0,0,0,0|2,0,0]=4 1046 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [2,0,0,0,0,0|2,0,0]=4 1047 B5R1.5 CC1(CC1)Br MCULE-7741990197 [2,0,0,0,0,0|1,0,1]=4 1048 B5R1.5 CC1(CC1)N MCULE-5669720871 [2,0,0,0,0,0|0,0,1]=3 1049 B5R1.5 CC1(CC1)N MCULE-6964629714 [2,0,0,0,0,0|0,0,1]=3 1050 B5R1.5 CC1(CC1)O MCULE-8472680145 [2,0,0,0,0,0|1,0,0]=3 1051 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [2,0,0,0,0,0|2,0,0]=4 1052 B5R1.5 NC1(CC1)O MCULE-6134507215 [2,0,0,0,0,0|0,0,0]=2 1053 B5R1.5 NC1(CC1)O MCULE-9233065159 [2,0,0,0,0,0|0,0,0]=2 1054 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,1,1,0,0,0|1,0,1]=4 1056 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,1,1,0,0,0|1,0,1]=4 1057 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,1,0,0,0|0,0,1]=3 1058 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,1,0,0,0|0,0,1]=3 1059 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,1,0,0,0|0,0,1]=3 1060 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,1,0,0,0|0,0,1]=3 1061 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,1,1,0,0,0|1,0,1]=4 1062 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,1,0,0,0|0,0,1]=3 1063 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,1,0,0,0|0,0,1]=3 1064 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,1,0,0,0|0,0,1]=3 1065 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,1,0,0,0|0,0,1]=3 1066 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,1,0,0,0|0,0,1]=3 1067 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,1,0,0,0|0,0,1]=3 1068 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,1,0,0,0|0,0,1]=3 1069 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,1,0,0,0|0,0,1]=3 1070 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,1,0,0,0|1,0,1]=4 1071 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,1,0,0,0|1,0,1]=4 1072 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,1,0,0,0|1,0,1]=4 1073 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,1,0,0,0|1,0,1]=4 1074 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,1,0,0,0|0,0,1]=3 1075 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,1,0,0,0|0,0,1]=3 1076 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,1,0,0,0|0,0,1]=3 1077 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,1,0,0,0|0,0,1]=3 1078 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,1,0,0,0|1,0,1]=4 1079 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,1,0,0,0|0,0,1]=3 1080 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,1,0,0,0|0,0,1]=3 1081 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,1,0,0,0|0,0,1]=3 1082 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,1,0,0,0|0,0,1]=3 1083 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,1,0,0,0|1,0,1]=4 1084 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,1,0,0,0|0,0,1]=3 1085 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,1,0,0,0|0,0,1]=3 1086 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,1,0,0,0|0,0,1]=3 1087 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,1,0,0,0|0,0,1]=3 1088 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,1,0,0,0|1,0,1]=4 1089 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,1,0,0,0|2,0,0]=4 1090 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,1,0,0,0|2,0,0]=4 1091 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,1,0,0,0|2,0,0]=4 1092 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,1,1,0,0,0|2,0,0]=4 1093 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,1,0,0,0|2,0,0]=4 1094 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,1,0,0,0|2,0,0]=4 1095 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,1,0,0,0|1,0,0]=3 1096 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,1,0,0,0|1,0,0]=3 1097 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,1,0,0,0|2,0,0]=4 1098 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,1,0,0,0|1,0,0]=3 1099 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,1,0,0,0|1,0,1]=4 1100 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,1,0,0,0|1,0,1]=4 1101 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,1,0,0,0|1,0,1]=4 1102 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,1,0,0,0|1,0,1]=4 1103 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,1,0,0,0|1,0,1]=4 1104 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,1,0,0,0|1,0,1]=4 1105 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,1,0,0,0|1,0,1]=4 1106 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,1,0,0,0|2,0,0]=4 1107 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,1,0,0,0|1,0,0]=3 1108 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,1,0,0,0|2,0,0]=4 1109 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,1,0,0,0|2,0,0]=4 1110 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,1,0,0,0|2,0,0]=4 1111 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,1,0,0,0|1,0,0]=3 1112 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,1,0,0,0|1,0,0]=3 1113 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,1,0,0,0|1,0,0]=3 1114 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,1,0,0,0|1,0,0]=3 1115 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,1,0,0,0|1,0,0]=3 1116 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,1,0,0,0|0,0,0]=2 1117 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,1,0,0,0|0,0,0]=2 1118 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,1,0,0,0|0,0,0]=2 1119 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,1,0,0,0|1,0,0]=3 1121 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,1,0,0,0|1,0,0]=3 1122 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,1,0,0,0|0,0,0]=2 1123 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,1,0,0,0|0,0,0]=2 1124 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,1,0,0,0|1,0,0]=3 1125 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,1,0,0,0|1,0,0]=3 1126 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,1,0,0,0|1,0,0]=3 1127 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,1,0,0,0|1,0,0]=3 1128 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,1,0,0,0|1,0,0]=3 1129 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,1,0,0,0|1,0,0]=3 1130 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,1,0,0,0|0,0,0]=2 1131 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,1,0,0,0|0,0,0]=2 1132 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,1,0,0,0|0,0,0]=2 1133 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,1,0,0,0|1,0,0]=3 1134 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,1,0,0,0|1,0,0]=3 1135 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,1,0,0,0|1,0,1]=4 1136 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,1,0,0,0|2,0,0]=4 1137 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,1,0,0,0|2,0,0]=4 1138 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,1,0,0,0|1,0,0]=3 1139 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,1,0,0,0|1,0,0]=3 1140 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,1,0,0,0|1,0,0]=3 1141 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,1,0,0,0|1,0,1]=4 1142 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,1,0,0,0|1,0,0]=3 1143 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,1,0,0,0|1,0,0]=3 1144 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,1,0,0,0|1,0,0]=3 1145 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,1,0,0,0|1,0,0]=3 1146 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,1,0,0,0|0,0,0]=2 1147 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,1,0,0,0|0,0,0]=2 1148 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,1,0,0,0|0,0,0]=2 1149 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,1,0,0,0|0,0,0]=2 1150 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,1,0,0,0|0,0,0]=2 1151 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,1,0,0,0|0,0,0]=2 1152 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,1,0,0,0|1,0,0]=3 1153 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,1,0,0,0|2,0,0]=4 1154 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,1,0,0,0|1,0,0]=3 1155 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,1,0,0,0|1,0,0]=3 1156 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,1,0,0,0|1,0,0]=3 1157 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,1,0,0,0|1,0,0]=3 1158 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,1,0,0,0|0,0,0]=2 1159 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,1,0,0,0|0,0,0]=2 1160 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,1,0,0,0|0,0,0]=2 1161 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,1,0,0,0|0,0,0]=2 1162 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,1,0,0,0|1,0,0]=3 1163 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,1,0,0,0|0,0,0]=2 1164 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,1,0,0,0|0,0,0]=2 1165 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,1,0,0,0|0,0,0]=2 1166 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,1,0,0,0|0,0,0]=2 1167 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,1,0,0,0|0,0,0]=2 1168 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,1,0,0,0|0,0,0]=2 1169 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,1,0,0,0|0,0,0]=2 1170 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,1,0,0,0|0,0,0]=2 1171 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,1,0,0,0|1,0,0]=3 1172 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,1,0,0,0|0,0,0]=2 1173 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,1,0,0,0|0,0,0]=2 1174 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,1,0,0,0|0,0,0]=2 1175 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,1,0,0,0|1,0,0]=3 1176 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,1,0,0,0|0,0,0]=2 1177 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,1,0,0,0|0,0,0]=2 1178 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,1,0,0,0|0,0,0]=2 1179 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,1,0,0,0|0,0,0]=2 1180 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,1,0,0,0|0,0,0]=2 1181 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,1,0,0,0|0,0,0]=2 1182 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,1,0,0,0|0,0,1]=3 1183 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,1,0,0,0|0,0,1]=3 1184 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,1,0,0,0|0,0,1]=3 1185 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,1,0,0,0|0,0,0]=2 1187 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,1,0,0,0|0,0,0]=2 1188 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,1,0,0,0|0,0,0]=2 1189 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,1,0,0,0|0,0,0]=2 1190 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,1,0,0,0|0,0,0]=2 1191 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,1,0,0,0|0,0,0]=2 1192 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,1,0,0,0|0,0,0]=2 1193 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,1,0,0,0|0,0,0]=2 1194 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,1,0,0,0|1,0,0]=3 1195 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,1,0,0,0|1,0,0]=3 1196 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,1,0,0,0|1,0,0]=3 1197 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,1,0,0,0|0,0,0]=2 1198 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,1,0,0,0|0,0,0]=2 1199 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,1,0,0,0|0,0,0]=2 1200 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,1,0,0,0|0,0,0]=2 1201 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,1,0,0,0|0,0,0]=2 1202 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,1,0,0,0|0,0,0]=2 1203 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,1,0,0,0|0,0,0]=2 1204 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,1,0,0,0|1,0,0]=3 1205 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,1,0,0,0|1,0,0]=3 1206 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,1,0,0,0|0,0,0]=2 1207 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,1,0,0,0|0,0,0]=2 1208 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,1,0,0,0|0,0,0]=2 1209 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,1,0,0,0|0,0,0]=2 1210 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,1,0,0,0|1,0,0]=3 1211 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,1,0,0,0|0,0,0]=2 1212 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,1,0,0,0|0,0,0]=2 1213 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,1,0,0,0|0,0,0]=2 1214 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,1,0,0,0|0,0,0]=2 1215 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,1,0,0,0|0,0,0]=2 1216 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,1,0,0,0|0,0,0]=2 1217 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,1,0,0,0|0,0,0]=2 1218 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,1,0,0,0|0,0,0]=2 1219 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,1,0,0,0|0,0,0]=2 1220 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,1,0,0,0|1,0,0]=3 1221 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,1,0,0,0|1,0,0]=3 1222 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,1,0,0,0|1,0,0]=3 1223 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,1,0,0,0|0,0,0]=2 1224 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,1,0,0,0|0,0,0]=2 1225 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,1,0,0,0|0,0,0]=2 1226 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,1,0,0,0|0,0,0]=2 1227 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,1,0,0,0|0,0,0]=2 1228 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,1,0,0,0|0,0,0]=2 1229 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,1,0,0,0|0,0,0]=2 1230 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,1,0,0,0|0,0,0]=2 1231 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,1,0,0,0|1,0,0]=3 1232 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,1,0,0,0|0,0,0]=2 1233 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,1,0,0,0|0,0,0]=2 1234 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,1,0,0,0|0,0,0]=2 1235 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,1,0,0,0|0,0,0]=2 1236 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,1,0,0,0|0,0,0]=2 1237 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,1,0,0,0|0,0,0]=2 1238 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,1,1,0,0,0|2,0,0]=4 1239 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,1,1,0,0,0|2,0,0]=4 1240 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,1,1,0,0,0|2,0,0]=4 1241 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,1,0,0,0|1,0,0]=3 1242 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,1,0,0,0|1,0,0]=3 1243 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,1,0,0,0|0,0,1]=3 1244 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,1,0,0,0|1,0,1]=4 1245 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,1,1,0,0,0|0,0,2]=4 1246 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,1,1,0,0,0|0,0,2]=4 1247 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,1,0,0,0|1,0,1]=4 1248 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,1,1,0,0,0|2,0,0]=4 1249 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,1,0,0,0|2,0,0]=4 1250 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,1,0,0,0|1,0,0]=3 1251 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,1,1,0,0,0|2,0,0]=4 1252 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,1,1,0,0,0|2,0,0]=4 1254 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,1,0,0,0|2,0,0]=4 1256 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,1,1,0,0,0|2,0,0]=4 1257 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,1,0,0,0|1,0,0]=3 1258 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,1,0,0,0|1,0,0]=3 1259 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,1,0,0,0|1,0,0]=3 1260 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,1,0,0,0|1,0,0]=3 1261 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,1,0,0,0|0,0,0]=2 1262 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,1,0,0,0|0,0,0]=2 1263 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,1,0,0,0|0,0,0]=2 1264 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,1,0,0,0|0,0,0]=2 1265 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,1,0,0,0|0,0,0]=2 1266 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [0,1,1,0,0,0|1,0,1]=4 1267 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,1,0,0,0|1,0,0]=3 1268 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,1,0,0,0|1,0,0]=3 1269 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,1,0,0,0|0,0,0]=2 1270 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,1,0,0,0|0,0,0]=2 1271 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,1,0,0,0|0,0,0]=2 1272 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,1,0,0,0|0,0,0]=2 1273 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,1,0,0,0|1,0,0]=3 1274 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,1,0,0,0|1,0,0]=3 1275 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,1,0,0,0|1,0,0]=3 1276 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,1,0,0,0|0,0,0]=2 1277 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,1,0,0,0|0,0,0]=2 1278 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,1,0,0,0|0,0,0]=2 1279 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,1,0,0,0|0,0,0]=2 1280 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,1,0,0,0|1,0,0]=3 1281 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,1,1,0,0,0|2,0,0]=4 1283 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,1,1,0,0,0|2,0,0]=4 1284 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,1,1,0,0,0|2,0,0]=4 1287 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,1,1,0,0,0|2,0,0]=4 1288 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,1,1,0,0,0|2,0,0]=4 1290 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,1,1,0,0,0|2,0,0]=4 1291 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,1,1,0,0,0|2,0,0]=4 1292 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,1,1,0,0,0|2,0,0]=4 1293 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,1,1,0,0,0|2,0,0]=4 1294 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,1,1,0,0,0|2,0,0]=4 1295 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,1,1,0,0,0|2,0,0]=4 1296 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,1,1,0,0,0|2,0,0]=4 1297 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,1,1,0,0,0|2,0,0]=4 1298 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,1,1,0,0,0|2,0,0]=4 1299 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,1,1,0,0,0|2,0,0]=4 1300 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,1,1,0,0,0|2,0,0]=4 1302 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,1,1,0,0,0|2,0,0]=4 1303 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,1,1,0,0,0|2,0,0]=4 1304 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,1,1,0,0,0|2,0,0]=4 1305 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,1,1,0,0,0|2,0,0]=4 1306 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,1,1,0,0,0|2,0,0]=4 1307 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,1,1,0,0,0|2,0,0]=4 1308 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,1,1,0,0,0|2,0,0]=4 1309 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,1,1,0,0,0|2,0,0]=4 1310 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,1,1,0,0,0|2,0,0]=4 1311 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,1,1,0,0,0|2,0,0]=4 1312 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,1,1,0,0,0|1,0,1]=4 1314 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,1,1,0,0,0|1,0,0]=3 1315 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,1,1,0,0,0|1,0,0]=3 1316 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,1,1,0,0,0|1,0,0]=3 1317 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,1,1,0,0,0|1,0,0]=3 1318 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,1,1,0,0,0|1,0,0]=3 1319 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,1,1,0,0,0|1,0,0]=3 1320 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,1,1,0,0,0|1,0,0]=3 1321 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,1,1,0,0,0|1,0,0]=3 1322 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,1,1,0,0,0|1,0,0]=3 1323 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,1,1,0,0,0|1,0,0]=3 1324 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,1,1,0,0,0|1,0,0]=3 1325 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,1,1,0,0,0|1,0,0]=3 1326 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,1,1,0,0,0|1,0,0]=3 1327 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,1,1,0,0,0|1,0,0]=3 1328 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,1,1,0,0,0|1,0,0]=3 1329 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,1,1,0,0,0|1,0,0]=3 1330 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,1,1,0,0,0|2,0,0]=4 1331 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,1,1,0,0,0|2,0,0]=4 1332 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,1,1,0,0,0|2,0,0]=4 1333 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,1,1,0,0,0|2,0,0]=4 1337 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,1,1,0,0,0|2,0,0]=4 1339 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,1,1,0,0,0|2,0,0]=4 1340 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,1,1,0,0,0|2,0,0]=4 1341 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,1,1,0,0,0|2,0,0]=4 1342 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,1,1,0,0,0|2,0,0]=4 1343 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,1,1,0,0,0|2,0,0]=4 1344 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,1,1,0,0,0|2,0,0]=4 1345 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,1,1,0,0,0|2,0,0]=4 1346 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,1,1,0,0,0|2,0,0]=4 1347 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,1,1,0,0,0|2,0,0]=4 1348 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,1,1,0,0,0|1,0,0]=3 1349 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,1,1,0,0,0|1,0,0]=3 1350 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,1,1,0,0,0|1,0,0]=3 1351 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,1,1,0,0,0|1,0,0]=3 1352 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,1,1,0,0,0|1,0,0]=3 1353 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,1,1,0,0,0|1,0,0]=3 1354 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,1,1,0,0,0|1,0,0]=3 1355 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,1,1,0,0,0|1,0,0]=3 1356 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,1,1,0,0,0|1,0,0]=3 1357 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,1,1,0,0,0|1,0,0]=3 1358 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,1,1,0,0,0|1,0,0]=3 1359 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,1,1,0,0,0|1,0,0]=3 1360 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,1,1,0,0,0|1,0,0]=3 1361 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,1,1,0,0,0|1,0,0]=3 1362 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,1,1,0,0,0|1,0,0]=3 1363 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,1,1,0,0,0|1,0,0]=3 1364 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,1,1,0,0,0|2,0,0]=4 1365 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,1,1,0,0,0|2,0,0]=4 1366 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,1,1,0,0,0|2,0,0]=4 1367 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,1,1,0,0,0|2,0,0]=4 1368 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,1,1,0,0,0|2,0,0]=4 1369 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,1,1,0,0,0|2,0,0]=4 1370 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,1,1,0,0,0|2,0,0]=4 1371 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,1,1,0,0,0|2,0,0]=4 1372 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,1,1,0,0,0|2,0,0]=4 1373 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,1,1,0,0,0|2,0,0]=4 1375 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,1,1,0,0,0|2,0,0]=4 1376 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,1,1,0,0,0|2,0,0]=4 1377 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,1,1,0,0,0|2,0,0]=4 1378 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,1,1,0,0,0|1,0,0]=3 1379 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,1,1,0,0,0|1,0,0]=3 1380 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,1,1,0,0,0|1,0,0]=3 1381 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,1,1,0,0,0|1,0,0]=3 1382 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,1,1,0,0,0|1,0,0]=3 1383 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,1,1,0,0,0|1,0,0]=3 1384 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,1,1,0,0,0|1,0,0]=3 1385 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,1,1,0,0,0|1,0,0]=3 1386 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,1,1,0,0,0|1,0,0]=3 1387 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,1,1,0,0,0|1,0,0]=3 1388 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,1,1,0,0,0|1,0,0]=3 1389 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,1,1,0,0,0|1,0,0]=3 1390 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,1,1,0,0,0|2,0,0]=4 1391 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,1,1,0,0,0|2,0,0]=4 1392 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,1,1,0,0,0|2,0,0]=4 1393 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,1,1,0,0,0|2,0,0]=4 1394 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,1,1,0,0,0|1,0,0]=3 1395 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,1,1,0,0,0|2,0,0]=4 1396 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,1,1,0,0,0|2,0,0]=4 1397 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,1,1,0,0,0|2,0,0]=4 1398 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,1,1,0,0,0|2,0,0]=4 1399 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,1,1,0,0,0|2,0,0]=4 1400 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,1,1,0,0,0|2,0,0]=4 1401 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,1,1,0,0,0|2,0,0]=4 1402 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,1,1,0,0,0|2,0,0]=4 1404 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,1,1,0,0,0|0,0,2]=4 1405 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,1,1,0,0,0|2,0,0]=4 1406 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,1,1,0,0,0|2,0,0]=4 1407 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,1,1,0,0,0|2,0,0]=4 1408 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,1,1,0,0,0|2,0,0]=4 1409 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,1,1,0,0,0|2,0,0]=4 1410 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,1,1,0,0,0|2,0,0]=4 1411 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,1,0,0,0|2,0,0]=4 1412 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,1,1,0,0,0|2,0,0]=4 1413 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,1,0,0,0|1,0,0]=3 1414 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,1,0,0,0|1,0,0]=3 1415 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,1,0,0,0|1,0,0]=3 1416 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,1,0,0,0|1,0,0]=3 1417 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,1,1,0,0,0|2,0,0]=4 1418 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,1,1,0,0,0|2,0,0]=4 1419 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,1,0,0,0|2,0,0]=4 1420 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,1,0,0,0|1,0,0]=3 1422 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,1,1,0,0,0|2,0,0]=4 1423 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,1,1,0,0,0|2,0,0]=4 1424 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,1,0,0,0|1,0,0]=3 1425 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,1,0,0,0|1,0,0]=3 1426 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,1,0,0,0|0,0,0]=2 1427 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,1,0,0,0|0,0,0]=2 1428 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,1,0,0,0|0,0,0]=2 1429 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,1,1,0,0,0|2,0,0]=4 1430 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,1,1,0,0,0|2,0,0]=4 1431 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,1,0,0,0|2,0,0]=4 1432 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,1,0,0,0|1,0,0]=3 1433 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,1,0,0,0|1,0,0]=3 1434 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,1,0,0,0|1,0,0]=3 1435 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,1,1,0,0,0|1,0,1]=4 1436 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,1,0,0,0|0,0,0]=2 1437 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,1,0,0,0|0,0,0]=2 1438 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,1,0,0,0|0,0,0]=2 1439 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,1,0,0,0|0,0,0]=2 1440 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,1,0,0,0|0,0,0]=2 1441 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,1,0,0,0|0,0,0]=2 1442 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,1,0,0,0|0,0,0]=2 1443 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,1,0,0,0|0,0,0]=2 1444 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,1,0,0,0|1,0,0]=3 1445 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,1,1,0,0,0|2,0,0]=4 1446 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,1,1,0,0,0|2,0,0]=4 1447 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,1,1,0,0,0|2,0,0]=4 1448 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,1,1,0,0,0|2,0,0]=4 1449 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,1,0,0,0|1,0,0]=3 1450 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,1,0,0,0|1,0,0]=3 1451 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,1,0,0,0|1,0,0]=3 1452 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,1,0,0,0|1,0,0]=3 1453 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,1,0,0,0|1,0,0]=3 1454 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,1,0,0,0|1,0,0]=3 1455 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,1,1,0,0,0|2,0,0]=4 1456 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,1,1,0,0,0|2,0,0]=4 1457 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,1,0,0,0|1,0,0]=3 1458 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,1,0,0,0|1,0,0]=3 1459 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,1,0,0,0|1,0,0]=3 1460 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,1,0,0,0|1,0,0]=3 1461 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,1,0,0,0|1,0,0]=3 1462 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,1,0,0,0|1,0,0]=3 1463 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,1,1,0,0,0|2,0,0]=4 1464 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,1,1,0,0,0|2,0,0]=4 1465 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,1,1,0,0,0|2,0,0]=4 1466 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,1,1,0,0,0|2,0,0]=4 1467 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,1,1,0,0,0|2,0,0]=4 1468 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,1,0,0,0|2,0,0]=4 1469 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,1,1,0,0,0|2,0,0]=4 1470 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [0,1,1,0,0,0|1,0,1]=4 1471 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [0,1,1,0,0,0|1,0,1]=4 1472 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,1,0,0,0|1,0,0]=3 1473 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,1,1,0,0,0|2,0,0]=4 1474 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [0,1,1,0,0,0|1,0,1]=4 1475 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [0,1,1,0,0,0|1,0,1]=4 1476 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [0,1,1,0,0,0|1,0,1]=4 1477 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [0,1,1,0,0,0|1,0,1]=4 1478 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,1,1,0,0,0|2,0,0]=4 1479 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,1,1,0,0,0|1,0,1]=4 1480 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,1,0,0,0|0,0,1]=3 1481 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,1,1,0,0,0|2,0,0]=4 1482 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,1,1,0,0,0|2,0,0]=4 1483 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,1,1,0,0,0|2,0,0]=4 1484 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,1,0,0,0|1,0,0]=3 1485 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,1,0,0,0|0,0,0]=2 1486 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,1,0,0,0|0,0,0]=2 1487 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,1,0,0,0|1,0,0]=3 1488 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,1,0,0,0|1,0,1]=4 1489 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,1,0,0,0|1,0,0]=3 1490 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,1,0,0,0|1,0,0]=3 1491 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,1,0,0,0|0,0,0]=2 1492 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,1,0,0,0|0,0,0]=2 1493 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,1,0,0,0|0,0,0]=2 1494 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,1,0,0,0|0,0,0]=2 1495 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,1,0,0,0|2,0,0]=4 1496 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,1,0,0,0|1,0,0]=3 1497 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,1,0,0,0|1,0,0]=3 1498 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,1,0,0,0|0,0,0]=2 1499 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,1,0,0,0|0,0,0]=2 1500 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,1,0,0,0|0,0,0]=2 1501 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,1,0,0,0|0,0,0]=2 1502 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,1,0,0,0|0,0,0]=2 1503 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,1,0,0,0|1,0,0]=3 1504 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,1,0,0,0|1,0,0]=3 1505 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,1,0,0,0|1,0,0]=3 1506 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,1,0,0,0|1,0,0]=3 1507 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,1,0,0,0|1,0,0]=3 1508 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,1,0,0,0|2,0,0]=4 1509 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,1,0,0,0|1,0,0]=3 1510 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,1,0,0,0|1,0,0]=3 1511 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,1,0,0,0|1,0,0]=3 1512 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,1,0,0,0|1,0,0]=3 1513 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,1,0,0,0|1,0,0]=3 1514 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,1,0,0,0|1,0,0]=3 1515 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,1,0,0,0|1,0,0]=3 1516 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,1,0,0,0|1,0,0]=3 1517 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,1,0,0,0|1,0,0]=3 1518 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,1,0,0,0|1,0,0]=3 1519 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,1,0,0,0|1,0,0]=3 1520 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,1,0,0,0|1,0,0]=3 1521 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,1,0,0,0|1,0,0]=3 1522 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,1,0,0,0|1,0,0]=3 1523 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,1,0,0,0|2,0,0]=4 1524 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,1,0,0,0|2,0,0]=4 1525 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,1,0,0,0|1,0,0]=3 1526 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,1,0,0,0|1,0,0]=3 1527 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,1,1,0,0,0|2,0,0]=4 1528 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,1,0,0,0|1,0,0]=3 1529 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,1,0,0,0|1,0,0]=3 1530 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,1,0,0,0|1,0,1]=4 1531 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,1,0,0,0|1,0,0]=3 1532 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,1,0,0,0|1,0,0]=3 1533 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,1,0,0,0|1,0,0]=3 1534 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,1,0,0,0|1,0,0]=3 1535 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,1,0,0,0|1,0,0]=3 1536 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,1,1,0,0,0|2,0,0]=4 1537 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,1,1,0,0,0|2,0,0]=4 1538 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,1,0,0,0|1,0,0]=3 1539 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,1,0,0,0|1,0,1]=4 1540 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,1,0,0,0|0,0,1]=3 1541 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,1,0,0,0|0,0,1]=3 1542 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,1,0,0,0|0,0,1]=3 1543 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,1,0,0,0|0,0,1]=3 1544 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,1,0,0,0|1,0,1]=4 1545 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,1,0,0,0|0,0,1]=3 1546 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,1,0,0,0|0,0,1]=3 1547 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,1,0,0,0|0,0,1]=3 1548 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,1,0,0,0|0,0,1]=3 1549 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,1,0,0,0|2,0,0]=4 1550 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,1,0,0,0|2,0,0]=4 1551 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,1,0,0,0|1,0,1]=4 1552 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,1,0,0,0|1,0,1]=4 1553 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,1,0,0,0|1,0,0]=3 1554 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,1,0,0,0|1,0,0]=3 1555 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,1,0,0,0|2,0,0]=4 1556 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,1,0,0,0|2,0,0]=4 1557 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,1,0,0,0|2,0,0]=4 1558 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,1,0,0,0|2,0,0]=4 1560 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,1,0,0,0|2,0,0]=4 1561 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,1,0,0,0|2,0,0]=4 1562 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,1,0,0,0|1,0,0]=3 1563 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,1,0,0,0|1,0,0]=3 1564 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,1,0,0,0|2,0,0]=4 1565 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,1,0,0,0|1,0,0]=3 1566 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,1,0,0,0|2,0,0]=4 1567 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,1,0,0,0|1,0,0]=3 1568 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,1,0,0,0|1,0,0]=3 1569 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,1,0,0,0|1,0,0]=3 1570 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,1,0,0,0|1,0,0]=3 1571 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,1,0,0,0|0,0,0]=2 1572 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,1,0,0,0|0,0,0]=2 1573 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,1,0,0,0|1,0,0]=3 1574 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,1,0,0,0|1,0,0]=3 1575 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,1,0,0,0|1,0,0]=3 1576 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,1,0,0,0|1,0,0]=3 1577 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,1,0,0,0|1,0,0]=3 1578 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,1,0,0,0|1,0,0]=3 1579 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,1,0,0,0|1,0,0]=3 1580 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,1,0,0,0|1,0,0]=3 1581 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,1,0,0,0|0,0,0]=2 1582 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,1,0,0,0|0,0,0]=2 1583 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,1,0,0,0|1,0,0]=3 1584 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,1,0,0,0|1,0,0]=3 1585 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,1,0,0,0|1,0,0]=3 1586 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,1,0,0,0|1,0,0]=3 1587 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,1,0,0,0|1,0,0]=3 1588 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,1,0,0,0|1,0,0]=3 1589 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,1,0,0,0|1,0,0]=3 1590 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,1,0,0,0|1,0,0]=3 1591 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,1,0,0,0|1,0,0]=3 1592 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,1,0,0,0|1,0,0]=3 1593 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,1,0,0,0|1,0,0]=3 1594 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,1,0,0,0|1,0,0]=3 1595 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,1,0,0,0|1,0,0]=3 1596 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,1,0,0,0|1,0,0]=3 1597 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,1,0,0,0|0,0,0]=2 1598 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,1,0,0,0|0,0,0]=2 1599 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,1,0,0,0|1,0,0]=3 1600 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,1,0,0,0|1,0,0]=3 1601 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,1,0,0,0|0,0,0]=2 1602 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,1,0,0,0|1,0,0]=3 1603 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,1,0,0,0|1,0,0]=3 1604 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,1,0,0,0|1,0,0]=3 1605 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,1,0,0,0|1,0,0]=3 1606 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,1,0,0,0|1,0,0]=3 1607 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,1,0,0,0|1,0,0]=3 1608 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,1,0,0,0|1,0,0]=3 1609 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,1,0,0,0|0,0,0]=2 1610 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,1,0,0,0|0,0,0]=2 1611 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,1,0,0,0|2,0,0]=4 1612 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,1,0,0,0|2,0,0]=4 1613 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,1,0,0,0|2,0,0]=4 1614 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,1,0,0,0|0,0,0]=2 1615 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,1,0,0,0|0,0,0]=2 1616 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,1,0,0,0|0,0,0]=2 1617 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,1,0,0,0|0,0,0]=2 1618 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,1,0,0,0|0,0,0]=2 1619 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,1,0,0,0|1,0,0]=3 1620 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,1,0,0,0|1,0,0]=3 1621 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,1,0,0,0|1,0,0]=3 1622 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,1,0,0,0|1,0,0]=3 1623 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,1,0,0,0|1,0,0]=3 1624 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,1,0,0,0|1,0,0]=3 1625 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,1,0,0,0|0,0,0]=2 1626 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,1,0,0,0|0,0,0]=2 1627 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,1,0,0,0|0,0,0]=2 1628 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,1,0,0,0|0,0,0]=2 1629 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,1,0,0,0|0,0,0]=2 1630 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,1,0,0,0|1,0,0]=3 1631 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,1,0,0,0|2,0,0]=4 1632 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,1,0,0,0|2,0,0]=4 1633 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,1,0,0,0|1,0,0]=3 1634 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,1,0,0,0|1,0,0]=3 1635 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,1,0,0,0|1,0,0]=3 1636 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,1,0,0,0|0,0,0]=2 1637 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,1,0,0,0|1,0,0]=3 1638 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,1,0,0,0|1,0,0]=3 1639 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,1,0,0,0|0,0,0]=2 1640 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,1,0,0,0|0,0,0]=2 1641 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,1,0,0,0|0,0,0]=2 1642 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,1,0,0,0|0,0,0]=2 1643 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,1,0,0,0|0,0,0]=2 1644 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,1,0,0,0|0,0,0]=2 1645 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,1,0,0,0|0,0,0]=2 1646 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,1,0,0,0|1,0,1]=4 1647 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,1,0,0,0|2,0,0]=4 1648 B7R0.17 CC(C)(C)P(=O)(O)O MCULE-6822028220 [0,1,1,0,0,0|2,0,0]=4 1649 B7R0.17 CC(C)(N)C(C)(C)O MCULE-3235981746 [0,1,1,0,0,0|1,0,1]=4 1650 B7R1.21 C=CCC1(CC1)N MCULE-3459936147 [1,1,0,0,0,0|1,0,0]=3 1651 B7R1.21 C=CCC1(CC1)N MCULE-9778934131 [1,1,0,0,0,0|1,0,0]=3 1652 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [1,1,0,0,0,0|1,0,1]=4 1653 B7R1.21 CCCC1(CC1)N MCULE-2015286161 [1,1,0,0,0,0|1,0,1]=4 1654 B7R1.21 CCCC1(CC1)N MCULE-9864007655 [1,1,0,0,0,0|1,0,1]=4 1655 B7R1.21 CCOC1(CC1)N MCULE-7603514903 [1,1,0,0,0,0|1,0,1]=4 1656 B7R1.21 COCC1(CC1)N MCULE-1201230014 [1,1,0,0,0,0|0,0,1]=3 1657 B7R1.21 COCC1(CC1)N MCULE-3690729649 [1,1,0,0,0,0|0,0,1]=3 1658 B7R1.21 N#CCC1(CC1)N MCULE-6913924618 [1,1,0,0,0,0|1,0,1]=4 1659 B7R1.21 NC1(CC1)CCO MCULE-6023170197 [1,1,0,0,0,0|0,0,1]=3 1660 B7R1.21 NC1(CC1)CCO MCULE-6146864546 [1,1,0,0,0,0|0,0,1]=3 1661 B7R1.21 NCCC1(CC1)N MCULE-1950553965 [1,1,0,0,0,0|1,0,1]=4 1662 B7R1.21 NCCC1(CC1)N MCULE-4555905032 [1,1,0,0,0,0|1,0,1]=4 1663 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [1,1,0,0,0,0|1,0,1]=4 1664 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [1,1,0,0,0,0|1,0,1]=4 1665 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [1,1,0,0,0,0|1,0,1]=4 1666 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [1,1,0,0,0,0|1,0,0]=3 1667 B7R1.29 C#CC1(CC1)CN MCULE-1553453727 [1,1,0,0,0,0|1,0,1]=4 1668 B7R1.29 C#CC1(CC1)CN MCULE-5521372359 [1,1,0,0,0,0|1,0,1]=4 1669 B7R1.29 C#CC1(CC1)CO MCULE-3782455933 [1,1,0,0,0,0|1,0,1]=4 1670 B7R1.29 CCC1(CC1)C=O MCULE-9240015002 [1,1,0,0,0,0|1,0,0]=3 1671 B7R1.29 CCC1(CC1)CN MCULE-8933224772 [1,1,0,0,0,0|1,0,1]=4 1672 B7R1.29 CCC1(CC1)CN MCULE-9807366848 [1,1,0,0,0,0|1,0,1]=4 1673 B7R1.29 CCC1(CC1)CO MCULE-9504231451 [1,1,0,0,0,0|1,0,1]=4 1674 B7R1.29 CNC1(CC1)C#N MCULE-5300403662 [1,1,0,0,0,0|1,0,1]=4 1675 B7R1.29 CNC1(CC1)CO MCULE-4219156771 [1,1,0,0,0,0|0,0,1]=3 1676 B7R1.29 CNC1(CC1)CO MCULE-5369462554 [1,1,0,0,0,0|0,0,1]=3 1677 B7R1.29 COC1(CC1)C=O MCULE-7427428769 [1,1,0,0,0,0|1,0,0]=3 1678 B7R1.29 COC1(CC1)CN MCULE-6599214469 [1,1,0,0,0,0|2,0,0]=4 1679 B7R1.29 COC1(CC1)CN MCULE-9855004613 [1,1,0,0,0,0|2,0,0]=4 1680 B7R1.29 COC1(CC1)CO MCULE-7482266883 [1,1,0,0,0,0|1,0,1]=4 1681 B7R1.29 CSC1(CC1)C=O MCULE-8407600042 [1,1,0,0,0,0|1,0,0]=3 1682 B7R1.29 CSC1(CC1)CN MCULE-3914494738 [1,1,0,0,0,0|2,0,0]=4 1683 B7R1.29 CSC1(CC1)CO MCULE-4468826717 [1,1,0,0,0,0|1,0,1]=4 1684 B7R1.29 N#CC1(CC1)C=O MCULE-5778696889 [1,1,0,0,0,0|0,0,1]=3 1685 B7R1.29 N#CC1(CC1)CN MCULE-4380201316 [1,1,0,0,0,0|1,0,1]=4 1686 B7R1.29 N#CC1(CC1)CN MCULE-4457337204 [1,1,0,0,0,0|1,0,1]=4 1687 B7R1.29 N#CC1(CC1)CO MCULE-4061593735 [1,1,0,0,0,0|0,0,2]=4 1688 B7R1.29 NCC1(CC1)CBr MCULE-2017861349 [1,1,0,0,0,0|1,0,1]=4 1689 B7R1.29 NCC1(CC1)CBr MCULE-6241335370 [1,1,0,0,0,0|1,0,1]=4 1690 B7R1.29 NCC1(CC1)CN MCULE-4214498869 [1,1,0,0,0,0|1,0,1]=4 1691 B7R1.29 NCC1(CC1)CN MCULE-8299727221 [1,1,0,0,0,0|1,0,1]=4 1692 B7R1.29 NCC1(CC1)CO MCULE-1328630482 [1,1,0,0,0,0|0,0,1]=3 1693 B7R1.29 NCC1(CC1)CO MCULE-3970508474 [1,1,0,0,0,0|0,0,1]=3 1694 B7R1.29 O=CC1(CC1)CF MCULE-6887466124 [1,1,0,0,0,0|1,0,0]=3 1695 B7R1.29 OCC1(CC1)CF MCULE-1670499766 [1,1,0,0,0,0|1,0,1]=4 1696 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [1,1,0,0,0,0|1,0,1]=4 1697 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,1,0,0,0,0|0,0,1]=3 1698 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,1,0,0,0,0|1,0,0]=3 1699 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,1,0,0,0,0|1,0,0]=3 1700 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,1,0,0,0,0|0,0,2]=4 1701 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,1,0,0,0,0|1,0,0]=3 1702 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,1,0,0,0,0|1,0,0]=3 1703 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,1,0,0,0,0|0,0,0]=2 1704 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,1,0,0,0,0|2,0,0]=4 1705 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,1,0,0,0,0|1,0,1]=4 1706 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,1,0,0,0,0|0,0,0]=2 1707 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,1,0,0,0,0|0,0,0]=2 1708 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,1,0,0,0,0|0,0,0]=2 1709 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,1,0,0,0,0|0,0,0]=2 1710 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,1,0,0,0,0|0,0,0]=2 1711 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,1,0,0,0,0|0,0,0]=2 1712 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,1,0,0,0,0|1,0,1]=4 1713 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,1,0,0,0,0|0,0,0]=2 1714 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,1,0,0,0,0|0,0,0]=2 1715 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,1,0,0,0,0|0,0,0]=2 1716 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,1,0,0,0,0|1,0,0]=3 1717 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,1,0,0,0,0|1,0,0]=3 1718 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,1,0,0,0,0|0,0,0]=2 1719 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,1,0,0,0,0|0,0,0]=2 1720 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,1,0,0,0,0|0,0,0]=2 1721 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,1,0,0,0,0|0,0,0]=2 1722 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,1,0,0,0,0|0,0,0]=2 1723 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,1,0,0,0,0|0,0,0]=2 1724 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,1,0,0,0,0|0,0,0]=2 1725 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,1,0,0,0,0|0,0,0]=2 1726 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,1,0,0,0,0|0,0,0]=2 1727 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,1,0,0,0,0|0,0,0]=2 1728 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,1,0,0,0,0|0,0,0]=2 1729 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,1,0,0,0,0|0,0,0]=2 1730 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,1,0,0,0,0|0,0,0]=2 1731 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,1,0,0,0,0|0,0,0]=2 1732 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,1,0,0,0,0|0,0,0]=2 1733 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,1,0,0,0,0|0,0,0]=2 1734 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,1,0,0,0,0|0,0,0]=2 1735 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,1,0,0,0,0|0,0,0]=2 1736 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,1,0,0,0,0|0,0,0]=2 1737 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,1,0,0,0,0|0,0,0]=2 1738 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,1,0,0,0,0|0,0,0]=2 1739 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,1,0,0,0,0|0,0,0]=2 1740 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,1,0,0,0,0|0,0,0]=2 1741 B7R1.22 C#CC(O)C1CC1 MCULE-2821595189 [1,1,0,0,0,0|1,0,1]=4 1742 B7R1.22 C/C(=N/O)/C1CC1 MCULE-9504873944 [1,1,0,0,0,0|1,0,0]=3 1743 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [1,1,0,0,0,0|1,0,0]=3 1744 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [1,1,0,0,0,0|1,0,0]=3 1745 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [1,1,0,0,0,0|1,0,1]=4 1746 B7R1.22 CC(=NO)C1CC1 MCULE-2639658638 [1,1,0,0,0,0|1,0,0]=3 1747 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [1,1,0,0,0,0|1,0,1]=4 1748 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [1,1,0,0,0,0|1,0,1]=4 1749 B7R1.22 CC(ON)C1CC1 MCULE-7159103218 [1,1,0,0,0,0|1,0,1]=4 1750 B7R1.22 CC(ON)C1CC1 MCULE-9475793465 [1,1,0,0,0,0|1,0,1]=4 1751 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [1,1,0,0,0,0|1,0,0]=3 1752 B7R1.22 CCC(O)C1CC1 MCULE-5753196768 [1,1,0,0,0,0|1,0,1]=4 1753 B7R1.22 CN(C=O)C1CC1 MCULE-4185514369 [1,1,0,0,0,0|2,0,0]=4 1754 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [1,1,0,0,0,0|1,0,0]=3 1755 B7R1.22 COC(=N)C1CC1 MCULE-3594886802 [1,1,0,0,0,0|1,0,0]=3 1756 B7R1.22 COC(=N)C1CC1 MCULE-6548060912 [1,1,0,0,0,0|1,0,0]=3 1757 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [1,1,0,0,0,0|0,0,0]=2 1758 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [1,1,0,0,0,0|1,0,0]=3 1759 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [1,1,0,0,0,0|1,0,0]=3 1760 B7R1.22 COC(=O)N1CC1 MCULE-2788788116 [1,1,0,0,0,0|1,0,0]=3 1761 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [1,1,0,0,0,0|1,0,0]=3 1762 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [1,1,0,0,0,0|1,0,0]=3 1763 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [1,1,0,0,0,0|1,0,0]=3 1764 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [1,1,0,0,0,0|1,0,0]=3 1765 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [1,1,0,0,0,0|1,0,0]=3 1766 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [1,1,0,0,0,0|1,0,0]=3 1767 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [1,1,0,0,0,0|1,0,0]=3 1768 B7R1.22 N#CC(O)C1CC1 MCULE-8814691593 [1,1,0,0,0,0|1,0,1]=4 1769 B7R1.22 N/C(=N\O)/C1CC1 MCULE-1839060575 [1,1,0,0,0,0|1,0,0]=3 1770 B7R1.22 N/C(=N\O)/C1CC1 MCULE-7991254390 [1,1,0,0,0,0|1,0,0]=3 1771 B7R1.22 N=C(NN)C1CC1 MCULE-3706372467 [1,1,0,0,0,0|2,0,0]=4 1772 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [1,1,0,0,0,0|1,0,1]=4 1773 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [1,1,0,0,0,0|1,0,1]=4 1774 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [1,1,0,0,0,0|1,0,0]=3 1775 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [1,1,0,0,0,0|1,0,0]=3 1776 B7R1.22 NCC(O)C1CC1 MCULE-4953920778 [1,1,0,0,0,0|1,0,1]=4 1777 B7R1.22 NCC(O)C1CC1 MCULE-5905916662 [1,1,0,0,0,0|1,0,1]=4 1778 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [1,1,0,0,0,0|1,0,0]=3 1779 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [1,1,0,0,0,0|1,0,1]=4 1780 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [1,1,0,0,0,0|1,0,1]=4 1781 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [1,1,0,0,0,0|1,0,1]=4 1782 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [1,1,0,0,0,0|1,0,1]=4 1783 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [1,1,0,0,0,0|1,0,1]=4 1784 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [1,1,0,0,0,0|1,0,1]=4 1785 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [1,1,0,0,0,0|1,0,1]=4 1786 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [1,1,0,0,0,0|1,0,1]=4 1787 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [1,1,0,0,0,0|1,0,0]=3 1788 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [1,1,0,0,0,0|1,0,0]=3 1789 B7R1.22 O=C(CCl)N1CC1 MCULE-3092013537 [1,1,0,0,0,0|2,0,0]=4 1790 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [1,1,0,0,0,0|0,0,0]=2 1791 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [1,1,0,0,0,0|0,0,0]=2 1792 B7R1.22 OC(CBr)C1CC1 MCULE-1163924206 [1,1,0,0,0,0|1,0,1]=4 1793 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [1,1,0,0,0,0|0,0,2]=4 1794 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [1,1,0,0,0,0|1,0,0]=3 1795 B7R1.26 CC(C)(O)C1CC1 MCULE-8228565189 [1,1,0,0,0,0|1,0,1]=4 1796 B7R1.26 CS(=N)(=O)C1CC1 MCULE-4537651837 [1,1,0,0,0,0|2,0,0]=4 1797 B7R1.26 NS(=O)(=O)C1CC1 MCULE-2058210869 [1,1,0,0,0,0|1,0,1]=4 1798 B7R1.26 O=S(=O)(Cl)C1CC1 MCULE-3373223509 [1,1,0,0,0,0|1,0,1]=4 1799 B7R1.26 O=S(=O)(F)C1CC1 MCULE-8835976210 [1,1,0,0,0,0|1,0,1]=4 1800 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,0,0,1|1,0,0]=3 1801 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,1,0,0,0,1|0,0,0]=2 1802 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,1,0,0,0,1|1,0,0]=3 1803 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,1,0,0,0,1|1,0,0]=3 1804 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,1,0,0,0,1|1,0,0]=3 1805 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,1,0,0,0,1|1,0,0]=3 1806 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,1,0,0,0,1|1,0,0]=3 1807 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,1,0,0,0,1|1,0,0]=3 1808 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,1,0,0,0,1|1,0,0]=3 1809 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,1,0,0,0,1|1,0,0]=3 1810 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,1,0,0,0,1|1,0,0]=3 1811 B9R1.111 O=C(O)C(=O)C1(CC1)F MCULE-2939361516 [0,1,0,0,0,1|1,0,0]=3 1812 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,1,0,0,0,1|1,0,0]=3 1813 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,1,0,0,0,1|1,0,0]=3 1814 B9R1.113 COC(=O)CC1(CC1)N MCULE-1706721546 [0,1,0,0,0,1|0,0,0]=2 1815 B9R1.113 COC(=O)CC1(CC1)N MCULE-8037085673 [0,1,0,0,0,1|0,0,0]=2 1816 B9R1.128 COC1(CC1)CC(=O)O MCULE-1379689122 [0,1,0,0,0,1|1,0,0]=3 1817 B9R1.128 N#CC1(CC1)CC(=O)O MCULE-5123449999 [0,1,0,0,0,1|0,0,1]=3 1818 B9R1.128 NCC1(CC1)CC(=O)N MCULE-4131038224 [0,1,0,0,0,1|1,0,0]=3 1819 B9R1.128 NCC1(CC1)CC(=O)N MCULE-7373176417 [0,1,0,0,0,1|1,0,0]=3 1820 B9R1.128 NCC1(CC1)CC(=O)O MCULE-5672358915 [0,1,0,0,0,1|0,0,0]=2 1821 B9R1.128 NCC1(CC1)CC(=O)O MCULE-9536586933 [0,1,0,0,0,1|0,0,0]=2 1822 B9R1.128 O=C(O)CC1(CC1)CO MCULE-8706737331 [0,1,0,0,0,1|1,0,0]=3 1823 B9R1.128 O=C(O)CC1(CC1)CS MCULE-2805511819 [0,1,0,0,0,1|1,0,0]=3 1824 B9R1.119 C#CC1(CCC1)C(=O)O MCULE-2021077070 [0,1,0,0,0,1|1,0,0]=3 1825 B9R1.119 CC(=O)C1(CCC1)C#N MCULE-9307675365 [0,1,0,0,0,1|1,0,1]=4 1826 B9R1.119 CCC1(CCC1)C(=O)O MCULE-8472500117 [0,1,0,0,0,1|1,0,0]=3 1827 B9R1.119 CCC1(CCO1)C(=O)O MCULE-9145728118 [0,1,0,0,0,1|1,0,0]=3 1828 B9R1.119 CCC1(CNC1)C(=O)O MCULE-8053068489 [0,1,0,0,0,1|1,0,0]=3 1829 B9R1.119 CCC1(COC1)C(=O)C MCULE-8523538443 [0,1,0,0,0,1|2,0,0]=4 1830 B9R1.119 CCC1(COC1)C(=O)O MCULE-3962066812 [0,1,0,0,0,1|1,0,0]=3 1831 B9R1.119 CC[C@]1(CCO1)C(=O)O MCULE-5752888055 [0,1,0,0,0,1|1,0,0]=3 1832 B9R1.119 CNC1(CCC1)C(=O)N MCULE-9618501617 [0,1,0,0,0,1|1,0,0]=3 1833 B9R1.119 CNC1(CCC1)C(=O)O MCULE-3757495053 [0,1,0,0,0,1|0,0,0]=2 1834 B9R1.119 CNC1(CCC1)C(=O)O MCULE-4024637716 [0,1,0,0,0,1|0,0,0]=2 1835 B9R1.119 CNC1(CNC1)C(=O)N MCULE-8113222638 [0,1,0,0,0,1|1,0,0]=3 1836 B9R1.119 CNC1(CNC1)C(=O)N MCULE-9287185171 [0,1,0,0,0,1|1,0,0]=3 1837 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [0,1,0,0,0,1|0,0,0]=2 1838 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [0,1,0,0,0,1|0,0,0]=2 1839 B9R1.119 CNC1(COC1)C(=O)O MCULE-5428851378 [0,1,0,0,0,1|0,0,0]=2 1840 B9R1.119 COC1(CCC1)C(=O)C MCULE-7851460728 [0,1,0,0,0,1|2,0,0]=4 1841 B9R1.119 COC1(CCC1)C(=O)Cl MCULE-2970127433 [0,1,0,0,0,1|2,0,0]=4 1842 B9R1.119 COC1(CCC1)C(=O)O MCULE-5969292821 [0,1,0,0,0,1|1,0,0]=3 1843 B9R1.119 COC1(CNC1)C(=O)O MCULE-2037277700 [0,1,0,0,0,1|1,0,0]=3 1844 B9R1.119 COC1(CNC1)C(=O)O MCULE-8524872732 [0,1,0,0,0,1|1,0,0]=3 1845 B9R1.119 CS(=O)C1(CCC1)CN MCULE-1873403604 [0,1,0,0,0,1|2,0,0]=4 1846 B9R1.119 CSC1(CCC1)C(=O)O MCULE-8804902018 [0,1,0,0,0,1|1,0,0]=3 1847 B9R1.119 N#CC1(CCC1)C(=O)O MCULE-3878444605 [0,1,0,0,0,1|0,0,1]=3 1848 B9R1.119 N#CC1(COC1)C(=O)O MCULE-2152442122 [0,1,0,0,0,1|0,0,1]=3 1849 B9R1.119 NC(=O)C1(CCC1)CO MCULE-9946184317 [0,1,0,0,0,1|2,0,0]=4 1850 B9R1.119 NCC1(CCC1)C(=O)N MCULE-9304292524 [0,1,0,0,0,1|1,0,0]=3 1851 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [0,1,0,0,0,1|0,0,0]=2 1852 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [0,1,0,0,0,1|0,0,0]=2 1853 B9R1.119 O=C(O)C1(CCC1)CBr MCULE-5543146509 [0,1,0,0,0,1|1,0,0]=3 1854 B9R1.119 O=C(O)C1(CCC1)CF MCULE-5485073729 [0,1,0,0,0,1|1,0,0]=3 1855 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [0,1,0,0,0,1|1,0,0]=3 1856 B9R1.119 O=C(O)C1(CNC1)CF MCULE-5137140836 [0,1,0,0,0,1|1,0,0]=3 1857 B9R1.119 O=C(O)C1(CNC1)CF MCULE-7308600698 [0,1,0,0,0,1|1,0,0]=3 1858 B9R1.119 O=C(O)C1(COC1)CBr MCULE-4458668966 [0,1,0,0,0,1|1,0,0]=3 1859 B9R1.119 O=C(O)C1(COC1)CF MCULE-2717237905 [0,1,0,0,0,1|1,0,0]=3 1860 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [0,1,0,0,0,1|1,0,0]=3 1861 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,0,0,1|1,0,0]=3 1862 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,0,0,1|1,0,0]=3 1863 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,0,0,1|1,0,0]=3 1864 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,0,0,1|1,0,0]=3 1865 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,0,0,1|1,0,0]=3 1866 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,0,0,1|1,0,0]=3 1867 B9R1.152 CN1CC(C1)(C)C(=O)O MCULE-4633405499 [0,1,0,0,0,1|1,0,0]=3 1868 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,0,0,1|1,0,0]=3 1869 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,0,0,1|1,0,0]=3 1870 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,0,0,1|1,0,0]=3 1871 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,0,0,1|1,0,0]=3 1872 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,0,0,1|0,0,0]=2 1873 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,0,0,1|0,0,0]=2 1874 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,0,0,1|0,0,0]=2 1875 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,0,0,1|0,0,0]=2 1876 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,0,0,1|0,0,0]=2 1877 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,0,0,1|0,0,0]=2 1878 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,0,0,1|1,0,0]=3 1879 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,0,0,1|0,0,0]=2 1880 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,0,0,1|0,0,0]=2 1881 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,0,0,1|0,0,0]=2 1882 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,0,0,1|1,0,0]=3 1883 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,0,0,1|1,0,0]=3 1884 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,0,0,1|1,0,0]=3 1885 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,0,0,1|1,0,0]=3 1886 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,0,0,1|1,0,0]=3 1887 B9R1.186 CC1(COC1)C(=O)NN MCULE-8411000980 [0,1,0,0,0,1|2,0,0]=4 1888 B9R1.186 CNC(=O)C1(COC1)N MCULE-2205559430 [0,1,0,0,0,1|1,0,0]=3 1889 B9R1.186 COC(=O)C1(CCC1)Br MCULE-8163588898 [0,1,0,0,0,1|1,0,0]=3 1890 B9R1.186 COC(=O)C1(CCC1)C MCULE-4295306660 [0,1,0,0,0,1|1,0,0]=3 1891 B9R1.186 COC(=O)C1(CCC1)N MCULE-4561399895 [0,1,0,0,0,1|0,0,0]=2 1892 B9R1.186 COC(=O)C1(CCC1)N MCULE-6643904748 [0,1,0,0,0,1|0,0,0]=2 1893 B9R1.186 COC(=O)C1(CCC1)O MCULE-9685086952 [0,1,0,0,0,1|1,0,0]=3 1894 B9R1.186 COC(=O)C1(CCN1)C MCULE-7183976970 [0,1,0,0,0,1|1,0,0]=3 1895 B9R1.186 COC(=O)C1(CCN1)C MCULE-7540921007 [0,1,0,0,0,1|1,0,0]=3 1896 B9R1.186 COC(=O)C1(CNC1)C MCULE-1276155967 [0,1,0,0,0,1|1,0,0]=3 1897 B9R1.186 COC(=O)C1(CNC1)C MCULE-9741948554 [0,1,0,0,0,1|1,0,0]=3 1898 B9R1.186 COC(=O)C1(CNC1)F MCULE-4349625868 [0,1,0,0,0,1|1,0,0]=3 1899 B9R1.186 COC(=O)C1(CNC1)F MCULE-6589739194 [0,1,0,0,0,1|1,0,0]=3 1900 B9R1.186 COC(=O)C1(CNC1)O MCULE-4998959697 [0,1,0,0,0,1|1,0,0]=3 1901 B9R1.186 COC(=O)C1(CNC1)O MCULE-7985614560 [0,1,0,0,0,1|1,0,0]=3 1902 B9R1.186 COC(=O)C1(COC1)C MCULE-3679844068 [0,1,0,0,0,1|1,0,0]=3 1903 B9R1.186 COC(=O)C1(COC1)N MCULE-4240909479 [0,1,0,0,0,1|0,0,0]=2 1904 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-6518097292 [0,1,0,0,0,1|1,0,0]=3 1905 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-7597317458 [0,1,0,0,0,1|1,0,0]=3 1906 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,2,0,0,0,0|0,0,0]=2 1907 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,2,0,0,0,0|0,0,0]=2 1908 B9R1.130 CC1CC1(C#N)C(=O)O MCULE-4083324671 [0,2,0,0,0,0|0,0,1]=3 1909 B9R1.130 CC[C@]1(C[C@@H]1F)C(=O)O MCULE-7765739144 [0,2,0,0,0,0|1,0,0]=3 1910 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-6558255104 [0,2,0,0,0,0|1,0,0]=3 1911 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-9949603359 [0,2,0,0,0,0|1,0,0]=3 1912 B9R1.169 CC(=O)C1(CC1(Cl)Cl)C MCULE-1232187468 [0,2,0,0,0,0|2,0,0]=4 1913 B9R1.169 CC(=O)C1(CC1(F)F)C MCULE-4022227261 [0,2,0,0,0,0|2,0,0]=4 1914 B9R1.169 CC1(CC1(Br)Br)C(=O)Cl MCULE-9944816501 [0,2,0,0,0,0|2,0,0]=4 1915 B9R1.169 CC1(CC1(Br)Br)C(=O)O MCULE-3847405281 [0,2,0,0,0,0|1,0,0]=3 1916 B9R1.169 CC1(CC1(Cl)Cl)C(=O)Cl MCULE-2634553954 [0,2,0,0,0,0|2,0,0]=4 1917 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O MCULE-4921441641 [0,2,0,0,0,0|1,0,0]=3 1918 B9R1.169 CC1(CC1(F)Cl)C(=O)O MCULE-2748610174 [0,2,0,0,0,0|1,0,0]=3 1919 B9R1.169 CC1(CC1(F)F)C(=O)N MCULE-1288000799 [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.169 CC1(CC1(F)F)C(=O)O MCULE-3474318455 [0,2,0,0,0,0|1,0,0]=3 1921 B9R1.188 CC1(CC1Br)C(=O)NN MCULE-3587808738 [0,2,0,0,0,0|2,0,0]=4 1922 B9R1.74 CC1(CC1)C(=O)CC#N MCULE-4646848620 [0,2,0,0,0,0|2,0,0]=4 1923 B9R1.74 CCNC(=O)C1(CC1)N MCULE-2151523172 [0,2,0,0,0,0|1,0,0]=3 1924 B9R1.74 CCNC(=O)C1(CC1)N MCULE-4402543989 [0,2,0,0,0,0|1,0,0]=3 1925 B9R1.74 CCOC(=O)C1(CC1)Br MCULE-4858768514 [0,2,0,0,0,0|1,0,0]=3 1926 B9R1.74 CCOC(=O)C1(CC1)C MCULE-2408706769 [0,2,0,0,0,0|1,0,0]=3 1927 B9R1.74 CCOC(=O)C1(CC1)N MCULE-5057272221 [0,2,0,0,0,0|0,0,0]=2 1928 B9R1.74 CCOC(=O)C1(CC1)N MCULE-7482270264 [0,2,0,0,0,0|0,0,0]=2 1929 B9R1.74 CCOC(=O)C1(CC1)O MCULE-8689534814 [0,2,0,0,0,0|1,0,0]=3 1930 B9R1.74 CCOC(=O)C1(CO1)C MCULE-8409787595 [0,2,0,0,0,0|2,0,0]=4 1931 B9R1.74 COCC(=O)C1(CC1)C MCULE-8713971574 [0,2,0,0,0,0|1,0,0]=3 1932 B9R1.74 COCC(O)C1(CC1)N MCULE-8418151970 [0,2,0,0,0,0|0,0,2]=4 1933 B9R1.190 C#CC1(CC1)C(=O)OC MCULE-2783655700 [0,2,0,0,0,0|1,0,0]=3 1934 B9R1.190 C=CC1(CC1)C(=O)OC MCULE-4070175187 [0,2,0,0,0,0|1,0,0]=3 1935 B9R1.190 CNC(=O)C1(CC1)CBr MCULE-7729451643 [0,2,0,0,0,0|2,0,0]=4 1936 B9R1.190 CNC(=O)C1(CC1)CO MCULE-1475265525 [0,2,0,0,0,0|2,0,0]=4 1937 B9R1.190 CNC1(CC1)C(=O)OC MCULE-3867090191 [0,2,0,0,0,0|0,0,0]=2 1938 B9R1.190 COC(=O)C1(CC1)C#N MCULE-3218753187 [0,2,0,0,0,0|0,0,1]=3 1939 B9R1.190 COC(=O)C1(CC1)C=O MCULE-7912187746 [0,2,0,0,0,0|1,0,0]=3 1940 B9R1.190 COC(=O)C1(CC1)CBr MCULE-7592167668 [0,2,0,0,0,0|1,0,0]=3 1941 B9R1.190 COC(=O)C1(CC1)CF MCULE-1552017513 [0,2,0,0,0,0|1,0,0]=3 1942 B9R1.190 COC(=O)C1(CC1)CN MCULE-3043222647 [0,2,0,0,0,0|0,0,0]=2 1943 B9R1.190 COC(=O)C1(CC1)CN MCULE-5823579491 [0,2,0,0,0,0|0,0,0]=2 1944 B9R1.190 COC(=O)C1(CC1)CO MCULE-4380084932 [0,2,0,0,0,0|1,0,0]=3 1945 B9R1.190 COC(=O)C1(CC1)OC MCULE-2012883593 [0,2,0,0,0,0|1,0,0]=3 1946 B9R1.190 N#CC1(CC1)C(=O)NN MCULE-4448234553 [0,2,0,0,0,0|1,0,1]=4 1947 B9R1.126 CS(=O)(=O)C1(CC1)CN MCULE-1430132852 [0,2,0,0,0,0|1,0,1]=4 1948 B9R1.126 CS(=O)(=O)C1(CC1)CN MCULE-1986197993 [0,2,0,0,0,0|1,0,1]=4 1949 B9R1.126 NCC1(CC1)S(=O)(=O)N MCULE-1435624524 [0,2,0,0,0,0|1,0,1]=4 1950 B9R1.126 NCC1(CC1)S(=O)(=O)N MCULE-6315377769 [0,2,0,0,0,0|1,0,1]=4 1951 B9R1.168 CC(=O)C1(CC1)C(=O)C MCULE-1230306878 [0,2,0,0,0,0|2,0,0]=4 1952 B9R1.168 CC(=O)C1(CC1)C(=O)O MCULE-4529598350 [0,2,0,0,0,0|1,0,0]=3 1953 B9R1.168 CC(C)C1(CC1)C(=O)O MCULE-5558173332 [0,2,0,0,0,0|1,0,0]=3 1954 B9R1.168 CN(C)C1(CC1)C(=O)O MCULE-3736666169 [0,2,0,0,0,0|0,0,0]=2 1955 B9R1.168 CN(C)C1(CC1)C(=O)O MCULE-5389503299 [0,2,0,0,0,0|0,0,0]=2 1956 B9R1.168 NC(=O)C1(CC1)C(=O)N MCULE-6739580033 [0,2,0,0,0,0|1,0,0]=3 1957 B9R1.168 NC(=O)C1(CC1)C(=O)O MCULE-5762715877 [0,2,0,0,0,0|0,0,0]=2 1958 B9R1.168 O=C(Cl)C1(CC1)C(=O)Cl MCULE-2737255095 [0,2,0,0,0,0|2,0,0]=4 1959 B9R1.168 O=C(O)C1(CC1)C(=O)O MCULE-3457962827 [0,2,0,0,0,0|1,0,0]=3 1960 B9R1.168 O=C(O)C1(CC1)C(F)F MCULE-2905461016 [0,2,0,0,0,0|1,0,0]=3 1961 B9R1.179 C=CCC1(CC1)C(=O)C MCULE-6528004150 [0,2,0,0,0,0|2,0,0]=4 1962 B9R1.179 C=CCC1(CC1)C(=O)O MCULE-9984484632 [0,2,0,0,0,0|1,0,0]=3 1963 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [0,2,0,0,0,0|1,0,0]=3 1964 B9R1.179 CCOC1(CC1)C(=O)O MCULE-2011368943 [0,2,0,0,0,0|1,0,0]=3 1965 B9R1.179 CCSC1(CC1)C(=O)O MCULE-1424616643 [0,2,0,0,0,0|1,0,0]=3 1966 B9R1.179 CNCC1(CC1)C(=O)O MCULE-4156653448 [0,2,0,0,0,0|0,0,0]=2 1967 B9R1.179 CNCC1(CC1)C(=O)O MCULE-7565142951 [0,2,0,0,0,0|0,0,0]=2 1968 B9R1.179 COCC1(CC1)C(=O)O MCULE-8440485105 [0,2,0,0,0,0|1,0,0]=3 1969 B9R1.179 N#CCC1(CC1)C(=O)O MCULE-4792635696 [0,2,0,0,0,0|0,0,1]=3 1970 B9R1.179 N#N=NC1(CC1)C(=O)N MCULE-2582098446 [0,2,0,0,0,0|1,0,1]=4 1971 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [0,2,0,0,0,0|0,0,0]=2 1972 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [0,2,0,0,0,0|0,0,0]=2 1973 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [0,2,0,0,0,0|1,0,0]=3 1974 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [0,2,0,0,0,0|1,0,0]=3 1975 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [0,2,0,0,0,0|1,0,0]=3 1976 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,1,1,0,0|1,0,0]=3 1977 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,1,1,0,0|1,0,0]=3 1978 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,1,1,0,0|1,0,1]=4 1979 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,1,1,0,0|2,0,0]=4 1980 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,1,1,0,0|2,0,0]=4 1981 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,1,1,0,0|1,0,0]=3 1982 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,0,1,1,0,0|1,0,1]=4 1983 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,0,1,1,0,0|1,0,1]=4 1984 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,1,1,0,0|2,0,0]=4 1985 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,1,1,0,0|2,0,0]=4 1986 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,0,1,1,0,0|1,0,1]=4 1987 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,0,1,1,0,0|1,0,1]=4 1988 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,1,1,0,0|2,0,0]=4 1989 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,0,1,1,0,0|1,0,1]=4 1990 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,0,1,1,0,0|1,0,1]=4 1991 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,0,1,1,0,0|1,0,1]=4 1992 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,0,1,1,0,0|1,0,1]=4 1993 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,1,1,0,0|0,0,2]=4 1994 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,1,1,0,0|1,0,0]=3 1995 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,1,1,0,0|1,0,0]=3 1996 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,0,1,1,0,0|1,0,1]=4 1997 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,0,1,1,0,0|1,0,1]=4 1998 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,1,1,0,0|1,0,0]=3 1999 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,1,1,0,0|1,0,0]=3 2000 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,1,1,0,0|0,0,0]=2 2001 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,1,1,0,0|0,0,0]=2 2002 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,1,1,0,0|0,0,0]=2 2003 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,1,1,0,0|0,0,0]=2 2004 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,1,1,0,0|0,0,0]=2 2005 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,1,1,0,0|0,0,0]=2 2006 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,1,1,0,0|0,1,0]=3 2007 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,1,1,0,0|0,1,0]=3 2008 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,1,1,0,0|2,0,0]=4 2009 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,1,1,0,0|2,0,0]=4 2010 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,1,1,0,0|2,0,0]=4 2011 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,1,1,0,0|2,0,0]=4 2012 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,1,1,0,0|2,0,0]=4 2013 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,1,1,0,0|1,0,0]=3 2014 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,1,1,0,0|1,0,0]=3 2015 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,0,1,1,0,0|1,0,1]=4 2016 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,0,1,1,0,0|1,0,1]=4 2017 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,0,1,1,0,0|1,0,1]=4 2018 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,0,1,1,0,0|1,0,1]=4 2019 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,0,1,1,0,0|1,0,1]=4 2020 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,0,1,1,0,0|1,0,1]=4 2021 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,0,1,1,0,0|1,0,1]=4 2022 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,0,1,1,0,0|1,0,1]=4 2023 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,0,1,1,0,0|1,0,1]=4 2024 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,0,1,1,0,0|1,0,1]=4 2025 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,0,1,1,0,0|1,0,1]=4 2026 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,1,1,0,0|1,0,0]=3 2027 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,1,1,0,0|1,0,0]=3 2028 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,1,1,0,0|1,0,0]=3 2029 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,1,1,0,0|1,0,0]=3 2030 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,1,1,0,0|0,0,0]=2 2031 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,1,1,0,0|0,0,0]=2 2032 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,1,1,0,0|0,0,0]=2 2033 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,1,1,0,0|0,0,0]=2 2034 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,1,1,0,0|0,1,0]=3 2035 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,1,1,0,0|0,1,0]=3 2036 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,1,1,0,0|0,1,0]=3 2037 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,1,1,0,0|0,1,0]=3 2038 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,1,1,0,0|2,0,0]=4 2039 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,1,1,0,0|2,0,0]=4 2040 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,0,1,1,0,0|1,0,1]=4 2041 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,0,1,1,0,0|1,0,1]=4 2042 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,0,1,1,0,0|1,0,1]=4 2043 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,0,1,1,0,0|1,0,1]=4 2044 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,0,1,1,0,0|1,0,1]=4 2045 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,0,1,1,0,0|1,0,1]=4 2046 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,0,1,1,0,0|1,0,1]=4 2047 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,0,1,1,0,0|1,0,1]=4 2048 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,0,1,1,0,0|1,0,1]=4 2049 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,1,1,0,0|1,0,0]=3 2050 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,1,1,0,0|1,0,0]=3 2051 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,1,1,0,0|1,0,0]=3 2052 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,1,1,0,0|1,0,0]=3 2053 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,1,1,0,0|0,0,0]=2 2054 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,1,1,0,0|0,0,0]=2 2055 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,1,1,0,0|0,0,0]=2 2056 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,1,1,0,0|0,0,0]=2 2057 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,1,1,0,0|0,0,0]=2 2058 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,1,1,0,0|0,1,0]=3 2059 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,1,1,0,0|0,1,0]=3 2060 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,1,1,0,0|0,1,0]=3 2061 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,1,1,0,0|0,1,0]=3 2062 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,1,1,0,0|2,0,0]=4 2063 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,1,1,0,0|2,0,0]=4 2064 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,1,1,0,0|2,0,0]=4 2065 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,1,1,0,0|2,0,0]=4 2066 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,1,1,0,0|2,0,0]=4 2067 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,1,1,0,0|2,0,0]=4 2068 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,1,1,0,0|2,0,0]=4 2069 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,1,1,0,0|2,0,0]=4 2070 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,1,1,0,0|2,0,0]=4 2071 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,1,1,0,0|2,0,0]=4 2072 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,1,1,0,0|2,0,0]=4 2073 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,1,1,0,0|2,0,0]=4 2074 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,1,1,0,0|2,0,0]=4 2075 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,1,1,0,0|2,0,0]=4 2076 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,1,1,0,0|2,0,0]=4 2077 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,1,1,0,0|1,0,0]=3 2078 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,1,1,0,0|1,0,0]=3 2079 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,1,1,0,0|1,0,0]=3 2080 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,1,1,0,0|1,0,0]=3 2081 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,1,1,0,0|1,0,0]=3 2082 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,1,1,0,0|1,0,0]=3 2083 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,1,1,0,0|1,0,0]=3 2084 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,1,1,0,0|0,0,1]=3 2085 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,0,1,1,0,0|2,0,0]=4 2086 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,0,1,1,0,0|2,0,0]=4 2087 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,0,1,1,0,0|1,0,0]=3 2088 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,0,1,1,0,0|1,0,0]=3 2089 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,0,1,1,0,0|1,0,0]=3 2090 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,0,1,1,0,0|1,0,0]=3 2091 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,1,1,0,0|0,0,0]=2 2092 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,1,1,0,0|2,0,0]=4 2093 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,1,1,0,0|2,0,0]=4 2094 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|1,0,0]=3 2095 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|1,0,0]=3 2096 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|1,0,0]=3 2097 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,1,1,0,0|2,0,0]=4 2098 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,1,1,0,0|1,0,1]=4 2099 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,1,1,0,0|1,0,0]=3 2100 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,1,1,0,0|0,0,0]=2 2101 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,1,1,0,0|0,0,0]=2 2102 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,1,1,0,0|0,0,0]=2 2103 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,1,1,0,0|1,0,0]=3 2104 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,1,1,0,0|1,0,0]=3 2105 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,1,1,0,0|2,0,0]=4 2106 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,1,1,0,0|2,0,0]=4 2107 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,1,1,0,0|2,0,0]=4 2108 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,1,1,0,0|2,0,0]=4 2109 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,1,1,0,0|0,0,0]=2 2110 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,1,1,0,0|0,0,0]=2 2111 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,1,1,0,0|0,0,0]=2 2112 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,1,1,0,0|0,0,0]=2 2113 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,1,1,0,0|1,0,0]=3 2114 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,1,1,0,0|1,0,0]=3 2115 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,1,1,0,0|0,0,0]=2 2116 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,1,1,0,0|0,0,0]=2 2117 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,1,1,0,0|0,0,0]=2 2118 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,1,1,0,0|0,0,0]=2 2119 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,1,1,0,0|1,0,0]=3 2120 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,1,1,0,0|1,0,0]=3 2121 B7R2.16 C1CC2(N1)CC2 MCULE-7587259458 [1,0,0,1,0,0|1,0,1]=4 2122 B7R2.16 C1CC2(N1)CC2 MCULE-8557810491 [1,0,0,1,0,0|1,0,1]=4 2123 B7R2.1 C1CC1C2CO2 MCULE-9859676878 [1,0,0,1,0,0|1,0,1]=4 2124 B9R2.139 O=C1CC2(CC2)CN1 MCULE-7165257937 [0,0,0,1,0,1|2,0,0]=4 2125 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,0,0,1,0,1|1,0,0]=3 2126 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,0,0,1,0,1|2,0,0]=4 2127 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,0,0,1,0,1|2,0,0]=4 2128 B9R2.139 O=C1NC2(CC2)CO1 MCULE-1385962947 [0,0,0,1,0,1|1,0,0]=3 2129 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,0,0,1,0,1|2,0,0]=4 2130 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,1,0,1|2,0,0]=4 2131 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,1,0,1|2,0,0]=4 2132 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,1,0,1|1,0,0]=3 2133 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,1,0,1|1,0,0]=3 2134 B9R2.140 O=C1CCC12CCC2 MCULE-3558542285 [0,0,0,1,0,1|2,0,0]=4 2135 B9R2.140 O=C1CCC12CNC2 MCULE-7450598610 [0,0,0,1,0,1|2,0,0]=4 2136 B9R2.140 O=C1CCC12CNC2 MCULE-9529947347 [0,0,0,1,0,1|2,0,0]=4 2137 B9R2.140 O=C1CCC12COC2 MCULE-9129224642 [0,0,0,1,0,1|2,0,0]=4 2138 B9R2.140 O=C1COC12CCC2 MCULE-7119377731 [0,0,0,1,0,1|2,0,0]=4 2139 B9R2.140 O=C1NCC12CCC2 MCULE-9964635912 [0,0,0,1,0,1|2,0,0]=4 2140 B9R2.145 CC(=O)C12CC(C1)C2 MCULE-4306075078 [0,0,0,1,0,1|2,0,0]=4 2141 B9R2.145 NC(=O)C12CC(C1)C2 MCULE-6296637670 [0,0,0,1,0,1|2,0,0]=4 2142 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,1,0,1|1,0,0]=3 2143 B9R2.5 O=C1CCCC12CC2 MCULE-5278125581 [0,1,0,1,0,0|2,0,0]=4 2144 B9R2.5 O=C1CCNC12CC2 MCULE-6498323713 [0,1,0,1,0,0|1,0,0]=3 2145 B9R2.5 O=C1NCCC12CC2 MCULE-4724464660 [0,1,0,1,0,0|2,0,0]=4 2146 B9R2.5 O=C1OCCC12CC2 MCULE-6263987451 [0,1,0,1,0,0|1,0,0]=3 2147 B9R2.5 O=C1OCCC12CO2 MCULE-2333540011 [0,1,0,1,0,0|2,0,0]=4 2148 B9R2.5 OC1CNCC12CC2 MCULE-4071908051 [0,1,0,1,0,0|1,0,1]=4 2149 B9R2.5 OC1CNCC12CC2 MCULE-4591207509 [0,1,0,1,0,0|1,0,1]=4 2150 B9R2.5 O[C@@H]1CNCC12CC2 MCULE-4489357766 [0,1,0,1,0,0|1,0,1]=4 2151 B9R2.5 O[C@H]1CNCC12CC2 MCULE-2346824131 [0,1,0,1,0,0|1,0,1]=4 2152 B9R2.187 NC1(CC1)C2COC2 MCULE-1551778482 [0,1,0,1,0,0|1,0,1]=4 2153 B9R2.187 NC1(CC1)C2COC2 MCULE-7028525088 [0,1,0,1,0,0|1,0,1]=4 2154 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,1,0,0,1|2,0,0]=4 2155 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,1,0,0,1|0,0,2]=4 2156 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,1,0,0,1|0,0,2]=4 2157 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,1,0,0,1|2,0,0]=4 2158 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,1,0,0,1|2,0,0]=4 2159 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,1,0,0,1|1,0,1]=4 2160 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,1,0,0,1|1,0,1]=4 2161 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,1,0,0,1|2,0,0]=4 2162 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,1,0,0,1|2,0,0]=4 2163 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,1,0,0,1|1,0,0]=3 2164 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,1,0,0,1|1,0,0]=3 2165 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,1,0,0,1|2,0,0]=4 2166 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,1,0,0,1|2,0,0]=4 2167 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,1,0,0,1|2,0,0]=4 2168 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,1,0,0,1|2,0,0]=4 2169 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,1,0,0,1|0,0,0]=2 2170 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,1,0,0,1|0,0,0]=2 2171 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,0,1,0,0,1|1,0,1]=4 2172 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,1,0,0,1|2,0,0]=4 2173 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,1,0,0,1|1,0,0]=3 2174 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,1,0,0,1|2,0,0]=4 2175 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,1,0,0,1|2,0,0]=4 2176 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,1,0,0,1|1,0,0]=3 2177 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,1,0,0,1|1,0,0]=3 2178 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,1,0,0,1|0,0,0]=2 2179 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,1,0,0,1|0,0,0]=2 2180 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,1,0,0,1|0,0,0]=2 2181 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,1,0,0,1|0,0,0]=2 2182 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,1,0,0,1|1,0,0]=3 2183 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,1,0,0,1|1,0,0]=3 2184 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,1,0,0,1|0,0,0]=2 2185 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,1,0,0,1|0,0,0]=2 2186 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,1,0,0,1|0,0,0]=2 2187 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,1,0,0,1|0,0,0]=2 2188 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,1,0,0,1|2,0,0]=4 2189 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,1,0,0,1|2,0,0]=4 2190 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,1,0,0,1|2,0,0]=4 2191 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,1,0,0,1|2,0,0]=4 2192 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,1,0,0,1|2,0,0]=4 2193 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,1,0,0,1|2,0,0]=4 2194 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,1,0,0,1|1,0,0]=3 2195 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,1,0,0,1|1,0,0]=3 2196 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,1,0,0,1|1,0,0]=3 2197 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,1,0,0,1|1,0,0]=3 2198 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,1,0,0,1|1,0,0]=3 2199 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,1,0,0,1|2,0,0]=4 2200 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,1,0,0,1|1,0,0]=3 2201 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,1,0,0,1|1,0,0]=3 2202 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,1,0,0,1|2,0,0]=4 2203 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,1,0,0,1|2,0,0]=4 2204 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,1,0,0,1|1,0,0]=3 2205 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,1,0,0,1|1,0,0]=3 2206 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,1,0,0,1|2,0,0]=4 2207 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,1,0,0,1|2,0,0]=4 2208 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,1,0,0,1|1,0,0]=3 2209 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,1,0,0,1|1,0,0]=3 2210 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,1,0,0,1|1,0,0]=3 2211 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,1,0,0,1|1,0,0]=3 2212 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,1,0,0,1|2,0,0]=4 2213 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,1,0,0,1|2,0,0]=4 2214 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,0,1,0,0,1|2,0,0]=4 2215 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,0,1,0,0,1|2,0,0]=4 2216 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,0,1,0,0,1|1,0,0]=3 2217 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,0,1,0,0,1|1,0,0]=3 2218 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,0,1,0,0,1|1,0,0]=3 2219 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,0,1,0,0,1|2,0,0]=4 2220 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,0,1,0,0,1|2,0,0]=4 2221 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,0,1,0,0,1|2,0,0]=4 2222 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,0,1,0,0,1|2,0,0]=4 2223 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,0,1,0,0,1|2,0,0]=4 2224 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,0,1,0,0,1|1,0,0]=3 2225 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,0,1,0,0,1|2,0,0]=4 2226 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,0,1,0,0,1|2,0,0]=4 2227 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,0,1,0,0,1|1,0,0]=3 2228 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,0,1,0,0,1|2,0,0]=4 2229 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,0,1,0,0,1|2,0,0]=4 2230 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,0,1,0,0,1|2,0,0]=4 2231 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,0,1,0,0,1|1,0,0]=3 2232 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,0,1,0,0,1|1,0,0]=3 2233 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,0,1,0,0,1|0,0,0]=2 2234 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,0,1,0,0,1|0,0,0]=2 2235 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,0,1,0,0,1|0,0,0]=2 2236 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,0,1,0,0,1|1,0,0]=3 2237 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,0,1,0,0,1|1,0,0]=3 2238 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,0,1,0,0,1|2,0,0]=4 2239 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [0,0,1,0,0,1|1,0,1]=4 2240 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,0,1,0,0,1|2,0,0]=4 2241 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,0,1,0,0,1|2,0,0]=4 2242 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,0,1,0,0,1|1,1,0]=4 2243 B7R1.25 C#CC1(CCC1)N MCULE-5371030411 [1,0,0,0,0,1|1,0,1]=4 2244 B7R1.25 C#CC1(CCC1)N MCULE-7138087833 [1,0,0,0,0,1|1,0,1]=4 2245 B7R1.25 C#CC1(COC1)N MCULE-5433976736 [1,0,0,0,0,1|1,0,1]=4 2246 B7R1.25 C#CC1(COC1)N MCULE-9884833232 [1,0,0,0,0,1|1,0,1]=4 2247 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [1,0,0,0,0,1|1,0,0]=3 2248 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [1,0,0,0,0,1|1,0,0]=3 2249 B7R1.25 C=CC1(COC1)O MCULE-3192470057 [1,0,0,0,0,1|2,0,0]=4 2250 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [1,0,0,0,0,1|1,0,0]=3 2251 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [1,0,0,0,0,1|1,0,1]=4 2252 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [1,0,0,0,0,1|1,0,1]=4 2253 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [1,0,0,0,0,1|1,0,1]=4 2254 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [1,0,0,0,0,1|1,0,1]=4 2255 B7R1.25 CC1(CNC1)CO MCULE-4856424189 [1,0,0,0,0,1|1,0,1]=4 2256 B7R1.25 CC1(CNC1)CO MCULE-7118798664 [1,0,0,0,0,1|1,0,1]=4 2257 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [1,0,0,0,0,1|1,0,0]=3 2258 B7R1.25 CC1(COC1)CO MCULE-5859568263 [1,0,0,0,0,1|1,0,1]=4 2259 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [1,0,0,0,0,1|1,0,0]=3 2260 B7R1.25 CC1(CSC1)CO MCULE-2267957602 [1,0,0,0,0,1|1,0,1]=4 2261 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [1,0,0,0,0,1|1,0,1]=4 2262 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [1,0,0,0,0,1|1,0,1]=4 2263 B7R1.25 CCC1(CNC1)N MCULE-3356995774 [1,0,0,0,0,1|1,0,1]=4 2264 B7R1.25 CCC1(CNC1)N MCULE-3405511665 [1,0,0,0,0,1|1,0,1]=4 2265 B7R1.25 CCC1(CNC1)N MCULE-9106873585 [1,0,0,0,0,1|1,0,1]=4 2266 B7R1.25 CCC1(COC1)N MCULE-1675536237 [1,0,0,0,0,1|1,0,1]=4 2267 B7R1.25 CCC1(COC1)N MCULE-2070317664 [1,0,0,0,0,1|1,0,1]=4 2268 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [1,0,0,0,0,1|1,0,1]=4 2269 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [1,0,0,0,0,1|1,0,1]=4 2270 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [1,0,0,0,0,1|1,0,1]=4 2271 B7R1.25 N#CC1(CCC1)N MCULE-5265286874 [1,0,0,0,0,1|1,0,1]=4 2272 B7R1.25 N#CC1(CCC1)N MCULE-9294868612 [1,0,0,0,0,1|1,0,1]=4 2273 B7R1.25 N#CC1(COC1)N MCULE-7987341637 [1,0,0,0,0,1|1,0,1]=4 2274 B7R1.25 N#CC1(COC1)N MCULE-8030800216 [1,0,0,0,0,1|1,0,1]=4 2275 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [1,0,0,0,0,1|1,0,1]=4 2276 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [1,0,0,0,0,1|1,0,1]=4 2277 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,0,0,1|0,0,1]=3 2278 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,0,0,1|0,0,1]=3 2279 B7R1.25 NC1(COC1)CF MCULE-5210114564 [1,0,0,0,0,1|1,0,1]=4 2280 B7R1.25 NC1(COC1)CF MCULE-9301949135 [1,0,0,0,0,1|1,0,1]=4 2281 B7R1.25 NC1(COC1)CO MCULE-5347414182 [1,0,0,0,0,1|0,0,1]=3 2282 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [1,0,0,0,0,1|1,0,1]=4 2283 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [1,0,0,0,0,1|1,0,1]=4 2284 B7R1.25 NCC1(COC1)N MCULE-1079562077 [1,0,0,0,0,1|1,0,1]=4 2285 B7R1.25 NCC1(COC1)N MCULE-6820840703 [1,0,0,0,0,1|1,0,1]=4 2286 B7R1.25 NCC1(COC1)N MCULE-6888014911 [1,0,0,0,0,1|1,0,1]=4 2287 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [1,0,0,0,0,1|1,0,0]=3 2288 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [1,0,0,0,0,1|1,0,1]=4 2289 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [1,0,0,0,0,1|1,0,1]=4 2290 B7R1.25 OCC1(CNC1)F MCULE-7526502512 [1,0,0,0,0,1|1,0,1]=4 2291 B7R1.25 OCC1(CNC1)F MCULE-7804174908 [1,0,0,0,0,1|1,0,1]=4 2292 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [1,0,0,0,0,1|1,0,1]=4 2293 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [1,0,0,0,0,1|1,0,1]=4 2294 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [1,0,0,0,0,1|1,0,1]=4 2295 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [1,0,0,0,0,1|1,0,1]=4 2296 B7R1.25 OCC1(COC1)F MCULE-9098723776 [1,0,0,0,0,1|1,0,1]=4 2297 B7R1.25 OCC1(COC1)O MCULE-4207928663 [1,0,0,0,0,1|1,0,1]=4 2298 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,0,0,1|1,0,0]=3 2299 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,0,0,1|1,0,0]=3 2300 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,0,0,1|1,0,1]=4 2301 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,0,0,1|1,0,1]=4 2302 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,0,0,1|1,0,1]=4 2303 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,0,0,1|2,0,0]=4 2304 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,0,0,1|2,0,0]=4 2305 B7R1.20 N=C(N)NC1CC1 MCULE-6195253401 [1,0,0,0,0,1|2,0,0]=4 2306 B7R1.20 N=C(N)NC1CC1 MCULE-7842873377 [1,0,0,0,0,1|2,0,0]=4 2307 B7R1.20 N=C(N)NC1CC1 MCULE-9778544365 [1,0,0,0,0,1|2,0,0]=4 2308 B7R1.20 NC(=NC1CC1)N MCULE-4635451272 [1,0,0,0,0,1|2,0,0]=4 2309 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,0,0,1|1,0,0]=3 2310 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,0,0,1|2,0,0]=4 2311 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,0,0,1|1,0,0]=3 2312 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,0,0,1|1,1,0]=4 2313 B7R1.20 NC(=S)NC1CC1 MCULE-1691696534 [1,0,0,0,0,1|1,1,0]=4 2314 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,0,0,1|1,0,0]=3 2315 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,0,0,1|1,0,0]=3 2316 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,0,0,1|1,0,0]=3 2317 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,0,0,1|0,0,1]=3 2318 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,0,0,1|0,0,0]=2 2319 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,0,0,1|1,0,0]=3 2320 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,0,0,1|1,0,0]=3 2321 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,0,0,1|1,0,1]=4 2322 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,0,0,1|1,0,1]=4 2323 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,0,0,1|1,0,1]=4 2324 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,0,0,1|1,0,1]=4 2325 B9R1.147 CC1(CC1)C#CC(=O)O MCULE-2641710313 [0,0,0,0,0,2|1,0,0]=3 2326 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,0,0,0,0,2|1,0,0]=3 2327 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,0,0,0,0,2|1,0,0]=3 2328 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,0,0,0,0,2|2,0,0]=4 2329 B9R1.171 CC(=O)CC1(COC1)O MCULE-3975222086 [0,0,0,0,0,2|2,0,0]=4 2330 B9R1.171 CC(=O)NC1(CCC1)C MCULE-3803103967 [0,0,0,0,0,2|2,0,0]=4 2331 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,0,0,0,0,2|1,0,0]=3 2332 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,0,0,0,0,2|1,0,0]=3 2333 B9R1.171 CC1(COC1)CC(=O)[O-] MCULE-9614788106 [0,0,0,0,0,2|1,0,1]=4 2334 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,0,0,0,0,2|1,0,0]=3 2335 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,0,0,0,0,2|1,0,0]=3 2336 B9R1.171 NC(=O)CC1(COC1)N MCULE-9538138103 [0,0,0,0,0,2|1,0,0]=3 2337 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,0,0,0,0,2|0,0,0]=2 2338 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,0,0,0,0,2|0,0,0]=2 2339 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,0,0,0,0,2|0,0,0]=2 2340 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,0,0,0,0,2|1,0,0]=3 2341 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,0,0,0,0,2|1,0,0]=3 2342 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,0,0,0,0,2|2,0,0]=4 2343 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,0,0,0,0,2|1,0,0]=3 2344 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,0,0,0,0,2|1,0,0]=3 2345 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,0,0,0,0,2|2,0,0]=4 2346 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,0,0,0,0,2|2,0,0]=4 2347 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,0,0,0,0,2|1,0,0]=3 2348 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [0,0,0,0,0,2|1,0,0]=3 2349 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,0,0,0,0,2|2,0,0]=4 2350 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,0,0,2|1,0,0]=3 2351 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,0,0,0,0,2|2,0,0]=4 2352 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,0,0,0,0,2|2,0,0]=4 2353 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,0,0,0,0,2|2,0,0]=4 2354 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,0,0,0,0,2|1,0,0]=3 2355 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,0,0,0,0,2|1,0,0]=3 2356 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,0,0,0,0,2|1,0,0]=3 2357 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,0,0,0,0,2|1,0,0]=3 2358 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,0,0,0,0,2|1,0,0]=3 2359 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,0,0,0,0,2|1,0,0]=3 2360 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,0,0,0,0,2|1,0,0]=3 2361 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,0,0,0,0,2|2,0,0]=4 2362 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,0,0,2|1,0,0]=3 2363 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,0,0,2|1,0,0]=3 2364 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,0,0,2|1,0,0]=3 2365 B9R1.163 CC1(CSSC1)C(=O)N MCULE-8448182442 [0,0,0,0,0,2|2,0,0]=4 2366 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,0,0,0,0,2|1,0,0]=3 2367 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,0,0,0,0,2|1,0,0]=3 2368 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,0,0,0,0,2|1,0,0]=3 2369 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,0,0,0,0,2|1,0,0]=3 2370 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,0,0,0,0,2|1,0,0]=3 2371 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,0,0,0,0,2|1,0,0]=3 2372 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,0,0,0,0,2|1,0,0]=3 2373 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,0,0,0,0,2|1,0,0]=3 2374 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,0,0,2|1,0,0]=3 2375 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,0,0,2|1,0,0]=3 2376 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,0,0,2|1,0,0]=3 2377 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,0,0,0,0,2|2,0,0]=4 2378 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,0,0,0,0,2|2,0,0]=4 2379 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,0,0,0,0,2|2,0,0]=4 2380 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,0,0,0,0,2|1,0,0]=3 2381 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,0,0,0,0,2|1,0,0]=3 2382 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,0,0,0,0,2|1,0,0]=3 2383 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,0,0,0,0,2|1,0,0]=3 2384 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,0,0,0,0,2|1,0,0]=3 2385 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,0,0,2|1,0,0]=3 2386 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,0,0,2|1,0,0]=3 2387 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,0,0,0,0,2|1,0,0]=3 2388 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,0,0,0,0,2|1,0,0]=3 2389 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,0,0,0,0,2|2,0,0]=4 2390 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,0,0,0,0,2|2,0,0]=4 2391 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,0,0,0,0,2|2,0,0]=4 2392 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,0,0,0,0,2|2,0,0]=4 2393 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,0,0,0,0,2|1,0,0]=3 2394 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,0,0,2|2,0,0]=4 2395 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [0,0,0,0,0,2|1,1,0]=4 2396 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,0,0,0,0,2|0,0,0]=2 2397 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,0,0,0,0,2|0,0,0]=2 2398 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,0,0,2|0,0,0]=2 2399 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,0,0,2|0,0,0]=2 2400 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,0,0,2|0,0,0]=2 2401 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,0,0,2|0,0,0]=2 2402 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,0,0,2|0,0,0]=2 2403 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,0,0,2|0,0,0]=2 2404 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,0,0,2|0,0,0]=2 2405 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,0,0,2|0,0,0]=2 2406 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,0,0,2|0,0,0]=2 2407 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,0,0,2|0,0,0]=2 2408 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,0,0,2|0,0,0]=2 2409 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,0,0,2|0,0,0]=2 2410 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,0,0,2|0,0,0]=2 2411 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,0,0,2|0,0,0]=2 2412 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,0,0,2|0,0,0]=2 2413 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,0,0,2|0,0,0]=2 2414 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,0,0,2|0,0,0]=2 2415 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,0,0,2|1,0,0]=3 2416 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,0,0,2|1,0,0]=3 2417 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,0,0,2|1,0,0]=3 2418 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,0,0,2|1,0,0]=3 2419 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,0,0,2|1,0,0]=3 2420 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,0,0,2|1,0,0]=3 2421 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,0,0,2|1,0,0]=3 2422 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,0,0,2|1,0,0]=3 2423 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,0,0,2|1,0,0]=3 2424 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,0,0,2|1,0,0]=3 2425 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,0,0,2|1,0,0]=3