0 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.64 CC(=O)CN1CCN=C1N 1458a_100000032790_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,0,0,0|0,0,0]=0 11 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,0,0,0|1,1,1]=3 23 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,0,0,0|1,1,1]=3 24 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,0,0,0|2,1,1]=4 29 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,0,0,0|2,1,1]=4 33 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,0,0,0|2,1,1]=4 34 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.64 [13CH3]C(=O)CN1CCN=C1N 1458a_100000032790_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,0,0,0|2,1,0]=3 37 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,0,0,0|1,1,1]=4 44 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,0,0,0|1,1,1]=4 45 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,0,0,0|0,1,1]=3 56 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,0,0,0|0,1,1]=3 57 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,0,0,0|0,1,1]=3 58 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,0,0,0|0,1,1]=3 59 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,0,0,0|0,1,1]=3 60 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,0,0,0|0,1,1]=3 61 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,0,0,0|1,1,1]=4 65 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,0,0,0|0,1,1]=3 69 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,0,0,0|1,1,1]=4 74 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,0,0,0|1,1,1]=4 78 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,0,0,0|1,1,1]=4 79 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.89 C=C(C)C(=O)C1CCCC1=O 1458a_100000185857_100000211823 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.89 C=C(C)C(=O)C1CCOC1=O 1458a_100000185857_100000211211 [0,1,0,0,0,0|2,1,0]=4 84 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.89 CC(C)N(C)C1CCCC1=O 269982a_200000211004_100000211823 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,1,0,0,0,0|1,1,1]=4 88 B11R1.105 CC(C)(C)NC1CCCC1=O 2230a_100000715429_100000211823 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.105 CC(C)(C)NC1CCNC1=O 34a_100016995588_100000210625 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.105 CC(C)(C)NC1CCOC1=O 2230a_100000715429_100000211211 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.105 CS(=O)(=O)NC1CCNC1=O 40a_100016995588_100000738038 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.228 C#CC(C)NC1CCCC1=O 2230a_100000707721_100000211823 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.228 C#CC(C)NC1CCCC1=O 34a_100000707721_100000709159 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.228 C#CC(C)NC1CCNC1=O 34a_100016995588_200000035995 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.228 C#CC(C)NC1CCOC1=O 2230a_100000707721_100000211211 [0,1,0,0,0,0|1,1,1]=4 96 B11R1.228 C#CC(C)NC1CCOC1=O 34a_100000707721_100000211211 [0,1,0,0,0,0|1,1,1]=4 97 B11R1.228 C=CC(=O)NC1CCNC1=O 1626a_100016995588_100000185746 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.228 C=CC(=O)NC1CCNC1=O 240690a_100016995588_200121576911 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.228 C=CC(=O)NC1CCSC1=O 1626a_100000184058_100000185746 [0,1,0,0,0,0|0,0,1]=2 100 B11R1.228 C=CC(=O)NC1CCSC1=O 240690a_100000184058_200121576911 [0,1,0,0,0,0|0,0,1]=2 101 B11R1.228 CC(C#N)NC1CCCC1=O 2230a_100000737613_100000211823 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.228 CC(C#N)NC1CCNC1=O 2230a_100016995588_100000184139 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.228 CC(C#N)NC1CCOC1=O 2230a_100000737613_100000211211 [0,1,0,0,0,0|1,1,1]=4 104 B11R1.228 CC(CO)NC1CCNC1=O 2230a_100016995588_100012180447 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.228 CC(CO)NC1CCNC1=O 34a_100016995588_100012180447 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [0,1,0,0,0,0|2,1,0]=4 108 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.228 CCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000210414 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,0,0,0|1,1,1]=4 123 B11R1.228 CNC(=O)CN1CCCC1=O 11a_106832991635_100000189602 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.228 CNC(=O)CN1CCCC1=O 1626a_100102657272_100000189602 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.228 CNC(=O)CN1CCCC1=O 240690a_100102657272_100000189602 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.228 CNC(=O)CN1CCCC1=O 527a_100102657272_100000189602 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.228 CNC(=O)CN1CCOC1=O 11a_106832991635_100011227918 [0,1,0,0,0,0|2,1,0]=4 128 B11R1.228 CNC(=O)CN1CCOC1=O 1626a_100102657272_100011227918 [0,1,0,0,0,0|2,1,0]=4 129 B11R1.228 CNC(=O)CN1CCOC1=O 240690a_100102657272_100011227918 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.228 CNC(=O)CN1CCOC1=O 527a_100102657272_100011227918 [0,1,0,0,0,0|2,1,0]=4 131 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100016995588_106832991635 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100102657272_100016995588 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100016995588_100102657272 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100102657272_100016995588 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.228 CNC(=O)NC1CCNC1=O 512a_100016995588_100102657272 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.228 CNC(=O)NC1CCNC1=O 512a_106832991638_100016995588 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.228 CNC(=O)NC1CCSC1=O 2708a_100102657272_100000184058 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100000184058_100102657272 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100102657272_100000184058 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.228 CNC(=O)NC1CCSC1=O 512a_100000184058_100102657272 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.228 CNC(=O)NC1CCSC1=O 512a_106832991638_100000184058 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 2708a_100102657272_100000765999 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 273464a_100000765999_100102657272 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 273464a_100102657272_100000765999 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 512a_100000765999_100102657272 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 512a_106832991638_100000765999 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.228 C[C@H](CO)NC1CCCC1=O 2230a_100000737577_100000211823 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.228 C[C@H](CO)NC1CCOC1=O 2230a_100000737577_100000211211 [0,1,0,0,0,0|0,1,2]=4 152 B11R1.228 O=C(CF)CN1CCCC1=O 1458a_100000189602_100015361967 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.228 O=C(CF)CN1CCOC1=O 1458a_100011227918_100015361967 [0,1,0,0,0,0|2,1,0]=4 154 B11R1.228 O=C(CO)NC1CCNC1=O 240690a_100016995588_100000210174 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.228 O=C(CO)NC1CCNC1=O 527a_100016995588_100000210174 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.228 O=C(CO)NC1CCSC1=O 240690a_100000184058_100000210174 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.228 O=C(CO)NC1CCSC1=O 527a_100000184058_100000210174 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.234 CC(=O)NC1CCCC1(F)F 11a_100000767123_100015343762 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.234 CC(=O)NC1CCCC1(F)F 1626a_100000767123_100015343762 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.234 CC(=O)NC1CCCC1(F)F 240690a_100000767123_100015343762 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.234 CC(=O)NC1CCCC1(F)F 527a_100000767123_100103153847 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.313 CC(C)NC1CCN(C1=O)C 2230a_100138425928_100000755940 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.313 CC(C)NC1CCN(C1=O)C 34a_100138425928_100000755940 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.495 CC(=O)CN1C(=O)CSC1=O 1458a_100000186196_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.495 [13CH3]C(=O)CN1C(=O)CSC1=O 1458a_100000186196_200025704644 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.645 CC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.645 CC(=O)NC1CC(=O)NC1=O 11a_100102712934_100015343762 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.645 CC(=O)NC1CC(=O)NC1=O 240690a_100102712934_100015343762 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,1,0,0,0,0|1,1,1]=4 175 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,1,0,0,0,0|1,1,1]=4 176 B11R1.645 [13CH3]C(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200025704644 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 178 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 179 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 180 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,0,1,0,0,0|2,0,1]=4 181 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,1,0,0,0|3,0,0]=4 182 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,1,0,0,0|3,0,0]=4 183 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,1,0,0,0|3,0,0]=4 184 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,0,1,0,0,0|2,0,0]=3 185 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,0,1,0,0,0|2,0,0]=3 186 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,0,1,0,0,0|2,0,0]=3 187 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,0,1,0,0,0|2,0,0]=3 188 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,0,1,0,0,0|3,0,0]=4 189 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,0,1,0,0,0|3,0,0]=4 190 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,0,1,0,0,0|3,0,0]=4 191 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,0,1,0,0,0|3,0,0]=4 192 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,0,1,0,0,0|3,0,0]=4 193 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,0,1,0,0,0|1,1,0]=3 194 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,0,1,0,0,0|1,1,0]=3 195 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,0,1,0,0,0|1,1,0]=3 196 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,0,1,0,0,0|1,1,0]=3 197 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,1,0,0,0|2,0,1]=4 198 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,1,0,0,0|2,0,1]=4 199 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,0,1,0,0,0|3,0,0]=4 200 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,0,1,0,0,0|3,0,0]=4 201 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,0,1,0,0,0|3,0,0]=4 202 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,0,1,0,0,0|3,0,0]=4 203 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 204 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 205 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 206 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,0,1,0,0,0|2,0,1]=4 207 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,1,0,0,0|1,0,2]=4 208 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 209 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 210 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,0,1,0,0,0|3,0,0]=4 211 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,0,1,0,0,0|2,0,1]=4 212 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,0,1,0,0,0|1,1,1]=4 213 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,0,1,0,0,0|2,0,0]=3 214 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,0,1,0,0,0|2,0,0]=3 215 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,0,1,0,0,0|2,0,0]=3 216 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,0,1,0,0,0|2,0,0]=3 217 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,1,0,0,0|2,0,1]=4 218 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,1,0,0,0|2,0,1]=4 219 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,1,0,0,0|3,0,0]=4 220 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,1,0,0,0|3,0,0]=4 221 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,0,1,0,0,0|2,0,1]=4 222 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,0,1,0,0,0|2,0,1]=4 223 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,0,1,0,0,0|2,0,1]=4 224 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,1,0,0,0|2,0,1]=4 225 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,1,0,0,0|2,0,1]=4 226 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,1,0,0,0|2,0,1]=4 227 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,1,0,0,0|2,0,1]=4 228 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,1,0,0,0|2,0,1]=4 229 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,1,0,0,0|1,1,1]=4 230 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,1,0,0,0|1,1,1]=4 231 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,1,0,0,0|1,1,1]=4 232 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,1,0,0,0|1,1,1]=4 233 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,1,0,0,0|1,1,1]=4 234 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,1,0,0,0|2,0,1]=4 235 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,1,0,0,0|2,0,1]=4 236 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,1,0,0,0|2,0,1]=4 237 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,1,0,0,0|2,0,1]=4 238 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,1,0,0,0|2,0,1]=4 239 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,1,0,0,0|2,0,1]=4 240 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 241 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 242 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [0,0,1,0,0,0|3,0,0]=4 243 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [0,0,1,0,0,0|3,0,0]=4 244 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [0,0,1,0,0,0|3,0,0]=4 245 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [0,0,1,0,0,0|3,0,0]=4 246 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,0,1,0,0,0|2,0,1]=4 247 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,0,1,0,0,0|2,0,1]=4 248 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,0,1,0,0,0|2,0,1]=4 249 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,0,1,0,0,0|2,0,1]=4 250 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,0,1,0,0,0|1,0,2]=4 251 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,0,1,0,0,0|1,0,2]=4 252 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,0,1,0,0,0|2,0,1]=4 253 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,0,1,0,0,0|1,0,2]=4 254 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,0,1,0,0,0|2,0,1]=4 255 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,0,1,0,0,0|2,0,0]=3 256 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,0,1,0,0,0|3,0,0]=4 257 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,0,1,0,0,0|3,0,0]=4 258 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,0,1,0,0,0|2,0,1]=4 259 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,0,1,0,0,0|2,0,0]=3 260 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,0,1,0,0,0|1,0,0]=2 261 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,0,1,0,0,0|2,0,0]=3 262 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,0,1,0,0,0|2,0,1]=4 263 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,0,1,0,0,0|2,0,1]=4 264 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,0,1,0,0,0|1,0,0]=2 265 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,0,1,0,0,0|1,0,0]=2 266 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,0,1,0,0,0|1,0,0]=2 267 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,0,1,0,0,0|1,0,0]=2 268 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,0,1,0,0,0|1,0,0]=2 269 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,0,1,0,0,0|1,0,0]=2 270 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,0,1,0,0,0|1,0,0]=2 271 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,0,1,0,0,0|2,0,1]=4 272 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,0,1,0,0,0|2,0,1]=4 273 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,0,1,0,0,0|2,0,0]=3 274 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,0,1,0,0,0|2,0,0]=3 275 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,0,1,0,0,0|2,0,0]=3 276 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,0,1,0,0,0|2,0,0]=3 277 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,0,1,0,0,0|1,1,1]=4 278 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,0,1,0,0,0|1,1,1]=4 279 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,0,1,0,0,0|0,1,0]=2 280 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,0,1,0,0,0|2,0,1]=4 281 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,0,1,0,0,0|2,0,0]=3 282 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,0,1,0,0,0|2,0,0]=3 283 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,0,1,0,0,0|2,0,0]=3 284 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,0,1,0,0,0|1,0,0]=2 285 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,0,1,0,0,0|1,0,0]=2 286 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,0,1,0,0,0|1,0,0]=2 287 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,0,1,0,0,0|1,0,0]=2 288 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,0,1,0,0,0|1,0,0]=2 289 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,0,1,0,0,0|1,0,0]=2 290 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,0,1,0,0,0|2,0,1]=4 291 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,0,1,0,0,0|2,0,1]=4 292 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,0,1,0,0,0|2,0,1]=4 293 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,0,1,0,0,0|2,0,1]=4 294 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,0,1,0,0,0|2,0,0]=3 295 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,0,1,0,0,0|2,0,0]=3 296 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,0,1,0,0,0|2,0,1]=4 297 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,0,1,0,0,0|2,0,1]=4 298 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,0,1,0,0,0|2,0,1]=4 299 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,0,1,0,0,0|2,0,1]=4 300 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,0,1,0,0,0|1,1,1]=4 301 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,0,1,0,0,0|1,0,2]=4 302 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,0,1,0,0,0|1,0,2]=4 303 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,0,1,0,0,0|1,0,2]=4 304 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,0,1,0,0,0|1,0,2]=4 305 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,0,1,0,0,0|1,0,2]=4 306 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,1,0,0,0|3,0,0]=4 307 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,1,0,0,0|3,0,0]=4 308 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,1,0,0,0|3,0,0]=4 309 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,1,0,0,0|3,0,0]=4 310 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,1,0,0,0|3,0,0]=4 311 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,1,0,0,0|1,0,2]=4 312 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,0,1,0,0,0|2,0,1]=4 313 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,0,1,0,0,0|2,0,1]=4 314 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,1,0,0,0|2,0,0]=3 315 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,1,0,0,0|2,0,0]=3 316 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,0,1,0,0,0|3,0,0]=4 317 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,0,1,0,0,0|3,0,0]=4 318 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,0,1,0,0,0|3,0,0]=4 319 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,1,0,0,0|3,0,0]=4 320 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,1,0,0,0|3,0,0]=4 321 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,1,0,0,0|3,0,0]=4 322 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,1,0,0,0|3,0,0]=4 323 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,1,0,0,0|3,0,0]=4 324 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,1,0,0,0|3,0,0]=4 325 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,0,1,0,0,0|2,0,1]=4 326 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,1,0,0,0|3,0,0]=4 327 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,1,0,0,0|3,0,0]=4 328 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,1,0,0,0|3,0,0]=4 329 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,1,0,0,0|3,0,0]=4 330 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,1,0,0,0|1,0,0]=2 331 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,1,0,0,0|2,0,0]=3 332 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,1,0,0,0|2,0,1]=4 333 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,1,0,0,0|2,0,0]=3 334 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,1,0,0,0|2,0,0]=3 335 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,1,0,0,0|2,0,0]=3 336 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,1,0,0,0|2,0,0]=3 337 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,1,0,0,0|3,0,0]=4 338 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,1,0,0,0|3,0,0]=4 339 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,1,0,0,0|3,0,0]=4 340 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,1,0,0,0|3,0,0]=4 341 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,1,0,0,0|2,0,0]=3 342 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,1,0,0,0|3,0,0]=4 343 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,1,0,0,0|3,0,0]=4 344 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,1,0,0,0|2,0,0]=3 345 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,1,0,0,0|1,0,0]=2 346 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,1,0,0,0|1,0,0]=2 347 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,1,0,0,0|1,0,0]=2 348 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,1,0,0,0|1,0,0]=2 349 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,1,0,0,0|1,0,0]=2 350 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,1,0,0,0|1,0,0]=2 351 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,1,0,0,0|1,0,0]=2 352 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,1,0,0,0|2,0,0]=3 353 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,1,0,0,0|2,0,0]=3 354 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,1,0,0,0|2,0,1]=4 355 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,1,0,0,0|2,0,1]=4 356 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,1,0,0,0|2,0,1]=4 357 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,1,0,0,0|2,0,0]=3 358 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,1,0,0,0|2,0,0]=3 359 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,1,0,0,0|2,0,0]=3 360 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,1,0,0,0|2,0,0]=3 361 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,1,0,0,0|3,0,0]=4 362 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,1,0,0,0|2,0,0]=3 363 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,1,0,0,0|2,0,0]=3 364 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,1,0,0,0|1,1,1]=4 365 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,1,0,0,0|1,1,1]=4 366 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,1,0,0,0|1,1,0]=3 367 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,1,0,0,0|1,1,0]=3 368 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,1,0,0,0|0,1,0]=2 369 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,1,0,0,0|1,1,1]=4 370 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,1,0,0,0|1,1,1]=4 371 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,1,0,0,0|2,1,0]=4 372 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,1,0,0,0|2,1,0]=4 373 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,1,0,0,0|3,0,0]=4 374 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,0,1,0,0,0|3,0,0]=4 375 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,0,1,0,0,0|3,0,0]=4 376 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,0,1,0,0,0|2,0,0]=3 377 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,0,1,0,0,0|3,0,0]=4 378 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,0,1,0,0,0|3,0,0]=4 379 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,0,1,0,0,0|3,0,0]=4 380 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,1,0,0,0|3,0,0]=4 381 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,0,1,0,0,0|3,0,0]=4 382 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,0,1,0,0,0|3,0,0]=4 383 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,1,0,0,0|3,0,0]=4 384 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,1,0,0,0|3,0,0]=4 385 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,0,1,0,0,0|3,0,0]=4 386 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,0,1,0,0,0|3,0,0]=4 387 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,0,1,0,0,0|3,0,0]=4 388 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,0,1,0,0,0|3,0,0]=4 389 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,0,1,0,0,0|3,0,0]=4 390 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,1,0,0|2,0,1]=4 391 B11R2.115 O=C1NCCC1NC2CC2 34a_100016995588_100000211595 [0,0,0,1,0,0|2,0,1]=4 392 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,1,0,0|1,1,1]=4 393 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,0,1,0|1,0,0]=2 394 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,0,1,0|2,0,1]=4 395 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,0,1,0|0,1,0]=2 396 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,0,1,0|2,0,1]=4 397 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,0,1,0|2,0,1]=4 398 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,0,1,0|2,0,1]=4 399 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,0,1,0|2,0,1]=4 400 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,0,1,0|3,0,0]=4 401 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,0,1,0|2,0,1]=4 402 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,0,1,0|3,0,0]=4 403 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,0,1,0|3,0,0]=4 404 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,0,1,0|2,1,0]=4 405 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,0,1,0|2,1,0]=4 406 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,0,1,0|3,0,0]=4 407 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,0,1,0|1,0,1]=3 408 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,0,0,0,1,0|2,0,1]=4 409 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,0,0,0,1,0|2,0,1]=4 410 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,0,0,0,1,0|2,0,1]=4 411 B11R1.86 CC(=O)CN1CCOCC1=O 1458a_100000722046_200000210301 [0,0,0,0,0,1|2,1,0]=4 412 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,0,0,0,1|2,0,1]=4 413 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,0,0,0,1|2,0,1]=4 414 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,0,0,0,1|2,0,1]=4 415 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,0,0,0,1|2,0,1]=4 416 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,0,0,0,0,1|1,0,0]=2 417 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,0,0,0,0,1|1,0,0]=2 418 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,0,0,0,0,1|1,0,0]=2 419 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,0,0,0,0,1|1,0,0]=2 420 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,0,0,0,1|1,0,2]=4 421 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,0,0,0,1|1,0,2]=4 422 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,0,0,0,1|2,0,1]=4 423 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,0,0,0,1|2,0,1]=4 424 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,0,0,0,1|2,0,1]=4 425 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,0,0,0,1|2,0,1]=4 426 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,0,0,0,0,1|0,1,2]=4 427 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,0,0,0,0,1|0,1,2]=4 428 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,0,0,0,0,1|0,1,2]=4 429 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,0,0,0,0,1|1,1,1]=4 430 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,0,0,0,0,1|1,1,1]=4 431 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,0,0,0,0,1|1,1,1]=4 432 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,0,0,0,0,1|1,1,1]=4 433 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,0,0,0,0,1|1,0,2]=4 434 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,0,0,0,0,1|1,0,2]=4 435 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,0,0,0,0,1|2,0,1]=4 436 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,0,0,0,0,1|2,0,1]=4 437 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,0,0,0,0,1|2,0,1]=4 438 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,0,0,0,0,1|2,0,1]=4 439 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,0,0,0,0,1|2,0,1]=4 440 B11R1.86 CC(C)NC1COCCC1=O 34a_100138425928_100012180262 [0,0,0,0,0,1|2,0,1]=4 441 B11R1.86 [13CH3]C(=O)CN1CCOCC1=O 1458a_100000722046_200025704644 [0,0,0,0,0,1|2,1,0]=4 442 B11R1.90 C=C(C)CNC1CCNC1=O 2230a_100016995588_100000748629 [0,0,0,0,0,1|2,0,0]=3 443 B11R1.90 C=C(C)CNC1CCNC1=O 34a_100016995588_100000748629 [0,0,0,0,0,1|2,0,0]=3 444 B11R1.90 C=C(C)CN[C@@H]1CONC1=O 2230a_100000765999_100000748629 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.90 C=C(C)CN[C@@H]1CONC1=O 34a_100000765999_100000748629 [0,0,0,0,0,1|3,0,0]=4 446 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,0,0,0,0,1|3,0,0]=4 447 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,0,0,0,0,1|3,0,0]=4 448 B11R1.90 C=C(C)COC1CCOC1=O 34a_100000210245_100000211211 [0,0,0,0,0,1|2,1,0]=4 449 B11R1.90 C=C(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748629 [0,0,0,0,0,1|3,0,0]=4 450 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,0,0,0,0,1|3,0,0]=4 451 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,0,0,0,0,1|3,0,0]=4 452 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000211211_100000211660 [0,0,0,0,0,1|2,1,0]=4 453 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000748629_100000211211 [0,0,0,0,0,1|2,1,0]=4 454 B11R1.90 C=C(F)CNC1CCNC1=O 2230a_100016995588_100009893438 [0,0,0,0,0,1|2,0,1]=4 455 B11R1.90 C=C(F)CNC1CCNC1=O 34a_100016995588_100009893438 [0,0,0,0,0,1|2,0,1]=4 456 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,0,0,1|1,1,0]=3 457 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,0,0,0,0,1|3,0,0]=4 459 B11R1.90 CC(=O)CCN1CCNC1=O 1458a_100000070787_100000090651 [0,0,0,0,0,1|3,0,0]=4 460 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,0,0,0,0,1|2,1,0]=4 461 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,0,0,0,0,1|2,0,0]=3 462 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,0,0,1|1,1,0]=3 463 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,0,0,0,0,1|3,0,0]=4 464 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.90 CC(=O)NN=C1CCC=C1Br 4a_100000189765_100000748913 [0,0,0,0,0,1|2,0,1]=4 466 B11R1.90 CC(=O)NN=C1CCC=C1C 4a_100000189765_100000748914 [0,0,0,0,0,1|2,0,1]=4 467 B11R1.90 CC(=O)NN=C1CCC=C1O 4a_100000189765_100009841096 [0,0,0,0,0,1|1,0,2]=4 468 B11R1.90 CC(=O)NN=C1CCSC1C 4a_100000189765_100000766762 [0,0,0,0,0,1|1,0,2]=4 469 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,0,0,0,0,1|2,0,1]=4 470 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,0,0,0,0,1|2,0,1]=4 471 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,0,0,0,0,1|2,0,1]=4 472 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,0,0,0,0,1|2,0,1]=4 473 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,0,0,0,0,1|2,0,1]=4 474 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,0,0,0,0,1|1,1,1]=4 475 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,0,0,0,0,1|1,1,1]=4 476 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,0,0,0,0,1|1,0,2]=4 477 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,0,0,0,0,1|1,0,2]=4 478 B11R1.90 CC(O)CNC1CCNC1=O 2230a_100016995588_100011218427 [0,0,0,0,0,1|1,0,2]=4 479 B11R1.90 CC(O)CNC1CCNC1=O 34a_100016995588_100011218427 [0,0,0,0,0,1|1,0,2]=4 480 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,0,0,0,0,1|0,1,2]=4 481 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,0,0,0,0,1|0,1,2]=4 482 B11R1.90 C[C@@H](O)CNC1CCNC1=O 2230a_100016995588_100009817552 [0,0,0,0,0,1|1,0,2]=4 483 B11R1.90 C[C@@H](O)CNC1CCNC1=O 34a_100016995588_100009817552 [0,0,0,0,0,1|1,0,2]=4 484 B11R1.90 NC(=O)CNC1CCCC1=O 2230a_100000711301_100000211823 [0,0,0,0,0,1|2,0,0]=3 485 B11R1.90 NC(=O)CNC1CCNC1=O 2230a_100016995588_100000747473 [0,0,0,0,0,1|2,0,0]=3 486 B11R1.90 NC(=O)CNC1CCNC1=O 34a_100016995588_100000187820 [0,0,0,0,0,1|2,0,0]=3 487 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,0,0,0,0,1|1,1,0]=3 488 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000747473 [0,0,0,0,0,1|3,0,0]=4 489 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000187820 [0,0,0,0,0,1|3,0,0]=4 490 B11R1.90 NC(=O)COC1CCCC1=O 34a_200000719330_100000187820 [0,0,0,0,0,1|3,0,0]=4 491 B11R1.90 NC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000187820 [0,0,0,0,0,1|3,0,0]=4 492 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000211823_100000747473 [0,0,0,0,0,1|3,0,0]=4 493 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000747473_100000211823 [0,0,0,0,0,1|3,0,0]=4 494 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,0,0,0,0,1|2,1,0]=4 495 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,0,0,0,0,1|2,1,0]=4 496 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,0,0,0,1|2,0,0]=3 497 B11R1.90 O=C([O-])CNC1CCNC1=O 34a_100016995588_100020667443 [0,0,0,0,0,1|2,0,0]=3 498 B11R1.90 O=C([O-])CN[C@@H]1CONC1=O 34a_100000765999_100020667443 [0,0,0,0,0,1|3,0,0]=4 499 B11R1.90 O=C([O-])COC1CCCC1=O 34a_200000719330_100020667443 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.90 O=C([O-])CO[C@H]1CCNC1=O 34a_100000688343_100020667443 [0,0,0,0,0,1|3,0,0]=4 501 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100000211823_100020667443 [0,0,0,0,0,1|3,0,0]=4 502 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100020667443_100000211823 [0,0,0,0,0,1|3,0,0]=4 503 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,0,0,0,0,1|2,1,0]=4 504 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,0,0,0,0,1|2,1,0]=4 505 B11R1.90 O=C1NCCC1NC[N+](=O)[O-] 34a_100016995588_100000761209 [0,0,0,0,0,1|3,0,0]=4 506 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,0,0,1|1,1,0]=3 507 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,0,0,0,0,1|2,1,0]=4 509 B11R1.157 CC(=O)CN1CCNC(=O)C1 1458a_100025771038_200000210301 [0,0,0,0,0,1|3,0,0]=4 510 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,0,0,1|2,0,1]=4 511 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,0,0,1|2,0,1]=4 512 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,0,0,1|2,0,1]=4 513 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,0,0,1|2,0,1]=4 514 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,0,0,0,1|1,0,2]=4 515 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,0,0,0,1|1,0,2]=4 516 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,0,0,0,0,1|3,0,0]=4 517 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,0,0,0,0,1|3,0,0]=4 518 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,0,0,0,0,1|3,0,0]=4 519 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,0,0,0,0,1|3,0,0]=4 520 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,0,0,0,1|1,0,0]=2 521 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,0,0,0,1|1,0,0]=2 522 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,0,0,0,1|1,0,0]=2 523 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,0,0,0,1|1,0,0]=2 524 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,0,0,0,0,1|3,0,0]=4 525 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,0,0,0,0,1|3,0,0]=4 526 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,0,0,0,0,1|2,0,1]=4 527 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,0,0,0,0,1|2,0,1]=4 528 B11R1.157 [13CH3]C(=O)CN1CCNC(=O)C1 1458a_100025771038_200025704644 [0,0,0,0,0,1|3,0,0]=4 529 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,1,0,0,0|1,0,1]=4 530 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [1,0,1,0,0,0|1,0,1]=4 531 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [1,0,1,0,0,0|1,0,1]=4 532 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [1,0,1,0,0,0|1,0,1]=4 533 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [1,0,1,0,0,0|1,0,1]=4 534 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,1,0,0,0|2,0,0]=4 535 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,1,0,0,0|2,0,0]=4 536 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,1,0,0,0|2,0,0]=4 537 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,1,0,0,0|1,0,0]=3 538 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,1,0,0,0|1,0,0]=3 539 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,1,0,0,0|1,0,0]=3 540 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,1,0,0,0|1,0,0]=3 541 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|1,0,1]=4 542 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|1,0,1]=4 543 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,1,0,0,0|1,0,1]=4 544 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,1,0,0,0|1,0,1]=4 545 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,1,0,0,0|2,0,0]=4 546 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,1,0,0,0|2,0,0]=4 547 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,1,0,0,0|2,0,0]=4 548 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,1,0,0,0|2,0,0]=4 549 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,1,0,0,0|0,0,2]=4 550 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,1,0,0,0|0,0,2]=4 551 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,1,0,0,0|1,0,1]=4 552 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,1,0,0,0|0,1,1]=4 553 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,0,1,0,0,0|1,0,1]=4 554 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,0,1,0,0,0|1,0,1]=4 555 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,1,0,0,0|1,0,1]=4 556 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,1,0,0,0|1,0,1]=4 557 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,1,0,0,0|2,0,0]=4 558 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,1,0,0,0|2,0,0]=4 559 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,1,0,0,0|1,0,1]=4 560 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,1,0,0,0|1,0,1]=4 561 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,0,1,0,0,0|1,0,1]=4 562 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,1,0,0,0|2,0,0]=4 563 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,0,1,0,0,0|2,0,0]=4 564 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,1,0,0,0|1,0,1]=4 565 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,1,0,0,0|1,0,1]=4 566 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,1,0,0,0|1,0,1]=4 567 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,1,0,0,0|1,0,1]=4 568 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,1,0,0,0|1,0,1]=4 569 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,1,0,0,0|1,0,1]=4 570 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,1,0,0,0|0,1,1]=4 571 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,1,0,0,0|0,1,1]=4 572 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,1,0,0,0|0,1,1]=4 573 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,1,0,0,0|0,1,1]=4 574 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,1,0,0,0|0,1,1]=4 575 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,1,0,0,0|1,0,1]=4 576 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,1,0,0,0|1,0,1]=4 577 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,1,0,0,0|0,0,1]=3 578 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,1,0,0,0|0,0,1]=3 579 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,1,0,0,0|0,0,1]=3 580 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,1,0,0,0|0,0,1]=3 581 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,1,0,0,0|0,0,1]=3 582 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,1,0,0,0|0,0,1]=3 583 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,1,0,0,0|1,0,1]=4 584 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,1,0,0,0|1,0,1]=4 585 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,1,0,0,0|1,0,1]=4 586 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,1,0,0,0|1,0,1]=4 587 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,1,0,0,0|1,0,1]=4 588 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,1,0,0,0|0,1,1]=4 589 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,1,0,0,0|0,1,1]=4 590 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,1,0,0,0|0,1,1]=4 591 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,1,0,0,0|0,1,1]=4 592 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|1,0,1]=4 593 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|1,0,1]=4 594 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,1,0,0,0|0,0,1]=3 595 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,1,0,0,0|0,0,1]=3 596 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,1,0,0,0|0,0,1]=3 597 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,1,0,0,0|0,0,1]=3 598 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,1,0,0,0|1,0,1]=4 599 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,1,0,0,0|1,0,1]=4 600 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,1,0,0,0|1,0,1]=4 601 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,1,0,0,0|1,0,1]=4 602 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,0,1,0,0,0|0,1,1]=4 603 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,0,1,0,0,0|0,1,1]=4 604 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,0,1,0,0,0|1,0,1]=4 605 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,0,1,0,0,0|1,0,1]=4 606 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,0,1,0,0,0|1,0,1]=4 607 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,0,1,0,0,0|1,0,1]=4 608 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,0,1,0,0,0|0,1,1]=4 609 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,0,1,0,0,0|0,1,1]=4 610 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,0,1,0,0,0|0,1,1]=4 611 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,0,1,0,0,0|0,1,1]=4 612 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [1,0,1,0,0,0|1,1,0]=4 613 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [1,0,1,0,0,0|1,1,0]=4 614 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,0,1,0,0,0|1,0,1]=4 615 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,0,1,0,0,0|1,0,1]=4 616 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,0,1,0,0,0|1,0,1]=4 617 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,0,1,0,0,0|1,0,1]=4 618 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,0,1,0,0,0|0,0,2]=4 619 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,0,1,0,0,0|0,0,2]=4 620 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,0,1,0,0,0|1,0,1]=4 621 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,0,1,0,0,0|1,0,1]=4 622 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,0,1,0,0,0|0,1,1]=4 623 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,0,1,0,0,0|1,0,1]=4 624 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,0,1,0,0,0|1,0,1]=4 625 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,1,0,0,0|2,0,0]=4 626 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,1,0,0,0|2,0,0]=4 627 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [1,0,1,0,0,0|1,0,0]=3 628 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [1,0,1,0,0,0|2,0,0]=4 629 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,0,1,0,0,0|2,0,0]=4 630 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [1,0,1,0,0,0|2,0,0]=4 631 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,1,0,0,0|2,0,0]=4 632 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,1,0,0,0|2,0,0]=4 633 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,1,0,0,0|2,0,0]=4 634 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,1,0,0,0|0,0,0]=2 635 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,0,1,0,0,0|1,0,0]=3 636 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,1,0,0,0|1,0,0]=3 637 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,1,0,0,0|1,0,0]=3 638 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,1,0,0,0|2,0,0]=4 639 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,1,0,0,0|2,0,0]=4 640 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [1,0,1,0,0,0|1,0,0]=3 641 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [1,0,1,0,0,0|1,0,0]=3 642 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 643 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 644 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 645 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,1,0,0,0|1,0,1]=4 646 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,1,0,0,0|0,0,2]=4 647 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,1,0,0,0|0,0,2]=4 648 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,1,0,0,0|0,0,2]=4 649 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,1,0,0,0|2,0,0]=4 650 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,1,0,0,0|2,0,0]=4 651 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,1,0,0,0|2,0,0]=4 652 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,1,0,0,0|2,0,0]=4 653 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [1,0,1,0,0,0|1,0,0]=3 654 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [1,0,1,0,0,0|1,0,0]=3 655 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [1,0,1,0,0,0|1,0,0]=3 656 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [1,0,1,0,0,0|1,0,0]=3 657 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [1,0,1,0,0,0|1,0,0]=3 658 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [1,0,1,0,0,0|1,0,0]=3 659 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [1,0,1,0,0,0|1,0,0]=3 660 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [1,0,1,0,0,0|2,0,0]=4 661 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [1,0,1,0,0,0|2,0,0]=4 662 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,0,1,0,0,0|2,0,0]=4 663 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,0,1,0,0,0|2,0,0]=4 664 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,0,1,0,0,0|2,0,0]=4 665 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [1,0,1,0,0,0|2,0,0]=4 666 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [1,0,1,0,0,0|2,0,0]=4 667 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [1,0,1,0,0,0|2,0,0]=4 668 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [1,0,1,0,0,0|2,0,0]=4 669 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [1,0,1,0,0,0|2,0,0]=4 670 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,1,0,0,0|1,1,0]=4 671 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,1,0,0,0|1,1,0]=4 672 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,1,0,0,0|0,1,0]=3 673 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [1,0,1,0,0,0|2,0,0]=4 674 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,0,1,0,0,0|1,0,1]=4 675 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [1,0,1,0,0,0|2,0,0]=4 676 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [1,0,1,0,0,0|2,0,0]=4 677 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,0,1,0,0,0|1,0,1]=4 678 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,0,1,0,0,0|1,0,1]=4 679 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,0,1,0,0,0|1,0,1]=4 680 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,0,1,0,0,0|1,0,1]=4 681 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,0,1,0,0,0|0,0,0]=2 682 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [1,0,1,0,0,0|1,0,0]=3 683 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [1,0,1,0,0,0|1,0,0]=3 684 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [1,0,1,0,0,0|1,0,0]=3 685 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,0,1,0,0,0|0,0,0]=2 686 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,0,1,0,0,0|1,0,0]=3 687 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,0,1,0,0,0|1,0,0]=3 688 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,0,1,0,0,0|1,0,0]=3 689 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,1,0,0,0|1,0,1]=4 690 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,1,0,0,0|1,0,1]=4 691 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,1,0,0,0|1,0,1]=4 692 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,1,0,0,0|0,1,1]=4 693 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,1,0,0,0|2,0,0]=4 694 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,1,0,0,0|2,0,0]=4 695 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,1,0,0,0|2,0,0]=4 696 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,1,0,0,0|2,0,0]=4 697 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,1,0,0,0|2,0,0]=4 698 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,1,0,0,0|2,0,0]=4 699 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,1,0,0,0|1,0,1]=4 700 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,1,0,0,0|1,0,1]=4 701 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,1,0,0,0|1,0,1]=4 702 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,1,0,0,0|0,1,1]=4 703 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [2,0,0,0,0,0|0,0,2]=4 704 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [2,0,0,0,0,0|1,0,0]=3 705 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [2,0,0,0,0,0|1,0,0]=3 706 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [2,0,0,0,0,0|1,0,0]=3 707 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [2,0,0,0,0,0|1,0,0]=3 708 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [2,0,0,0,0,0|1,0,0]=3 709 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [2,0,0,0,0,0|0,1,0]=3 710 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [2,0,0,0,0,0|0,1,0]=3 711 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [2,0,0,0,0,0|0,1,0]=3 712 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [2,0,0,0,0,0|1,1,0]=4 717 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [2,0,0,0,0,0|1,1,0]=4 721 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [2,0,0,0,0,0|1,1,0]=4 722 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [2,0,0,0,0,0|1,0,0]=3 723 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [2,0,0,0,0,0|1,0,0]=3 724 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [2,0,0,0,0,0|2,0,0]=4 729 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [2,0,0,0,0,0|1,1,0]=4 731 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [2,0,0,0,0,0|1,1,0]=4 732 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,1,0,0,0|2,0,0]=4 733 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,1,1,0,0,0|2,0,0]=4 734 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,1,1,0,0,0|2,0,0]=4 735 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,1,1,0,0,0|2,0,0]=4 736 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,1,1,0,0,0|2,0,0]=4 737 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,1,1,0,0,0|2,0,0]=4 738 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,1,1,0,0,0|2,0,0]=4 739 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,1,1,0,0,0|2,0,0]=4 740 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,1,1,0,0,0|2,0,0]=4 741 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,1,1,0,0,0|1,1,0]=4 742 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,1,1,0,0,0|2,0,0]=4 743 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,1,1,0,0,0|2,0,0]=4 744 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,1,1,0,0,0|2,0,0]=4 745 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,1,1,0,0,0|2,0,0]=4 746 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,1,1,0,0,0|2,0,0]=4 747 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,1,1,0,0,0|2,0,0]=4 748 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,1,1,0,0,0|1,0,0]=3 749 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,1,1,0,0,0|1,0,0]=3 750 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,1,0,0,0|2,0,0]=4 751 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,1,1,0,0,0|2,0,0]=4 752 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,1,1,0,0,0|2,0,0]=4 753 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,1,1,0,0,0|1,0,0]=3 754 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,1,1,0,0,0|0,1,0]=3 755 B10R0.4 CC(=O)NCCSCSC#N 62a_100000189650_100000211825 [0,1,1,0,0,0|1,0,1]=4 756 B10R0.4 CC(=O)NCCSCSC#N 62a_100000211825_100000189650 [0,1,1,0,0,0|1,0,1]=4 757 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,1,1,0,0,0|1,0,0]=3 758 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,1,1,0,0,0|1,0,0]=3 759 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,1,1,0,0,0|2,0,0]=4 760 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,1,1,0,0,0|2,0,0]=4 761 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,1,1,0,0,0|1,0,0]=3 762 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,1,1,0,0,0|1,0,0]=3 763 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,1,1,0,0,0|1,1,0]=4 764 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,1,1,0,0,0|1,1,0]=4 765 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,1,1,0,0,0|2,0,0]=4 766 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,1,0,0,0|2,0,0]=4 767 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,1,1,0,0,0|2,0,0]=4 768 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,1,1,0,0,0|2,0,0]=4 769 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,1,1,0,0,0|2,0,0]=4 770 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,1,0,0,0|2,0,0]=4 771 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,1,0,0,0|2,0,0]=4 772 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,1,0,0,0|2,0,0]=4 773 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,1,0,0,0|2,0,0]=4 774 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,1,0,0,0|2,0,0]=4 775 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,1,1,0,0,0|2,0,0]=4 776 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,1,1,0,0,0|2,0,0]=4 777 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,1,1,0,0,0|2,0,0]=4 778 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,1,1,0,0,0|2,0,0]=4 779 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,1,1,0,0,0|2,0,0]=4 780 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,1,1,0,0,0|2,0,0]=4 781 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,1,1,0,0,0|2,0,0]=4 782 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,1,1,0,0,0|2,0,0]=4 783 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,1,1,0,0,0|1,1,0]=4 784 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,1,1,0,0,0|1,1,0]=4 785 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,1,1,0,0,0|1,1,0]=4 786 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,1,1,0,0,0|1,1,0]=4 787 B10R0.74 C=COCCCNC(=O)CO 240690a_100000210767_100000210174 [0,1,1,0,0,0|1,1,0]=4 788 B10R0.74 C=COCCCNC(=O)CO 527a_100000210767_100000210174 [0,1,1,0,0,0|1,1,0]=4 789 B10R0.74 C=COCCCNC(=O)NC 2708a_100000210767_106832991635 [0,1,1,0,0,0|1,1,0]=4 790 B10R0.74 C=COCCCNC(=O)NC 2708a_100102657272_100000210767 [0,1,1,0,0,0|1,1,0]=4 791 B10R0.74 C=COCCCNC(=O)NC 273464a_100000210767_100102657272 [0,1,1,0,0,0|1,1,0]=4 792 B10R0.74 C=COCCCNC(=O)NC 273464a_100102657272_100000210767 [0,1,1,0,0,0|1,1,0]=4 793 B10R0.74 C=COCCCNC(=O)NC 512a_100000210767_100102657272 [0,1,1,0,0,0|1,1,0]=4 794 B10R0.74 C=COCCCNC(=O)NC 512a_106832991638_100000210767 [0,1,1,0,0,0|1,1,0]=4 795 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,1,1,0,0,0|2,0,0]=4 796 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,1,1,0,0,0|2,0,0]=4 797 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,1,1,0,0,0|2,0,0]=4 798 B10R0.74 CNC(=O)NCCNCC=O 34a_100015205895_200009817547 [0,1,1,0,0,0|2,0,0]=4 799 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,1,1,0,0,0|2,0,0]=4 800 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,1,1,0,0,0|2,0,0]=4 801 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,1,1,0,0,0|2,0,0]=4 802 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,1,1,0,0,0|2,0,0]=4 803 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,1,1,0,0,0|2,0,0]=4 804 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,1,1,0,0,0|2,0,0]=4 805 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,1,0,0,0|1,1,0]=4 806 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,1,1,0,0,0|1,0,0]=3 807 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,1,1,0,0,0|1,0,0]=3 808 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,1,1,0,0,0|1,0,0]=3 809 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,1,1,0,0,0|1,0,0]=3 810 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,1,1,0,0,0|1,0,0]=3 811 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,1,1,0,0,0|1,0,0]=3 812 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,1,1,0,0,0|1,0,0]=3 813 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,1,1,0,0,0|1,0,0]=3 814 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,1,1,0,0,0|2,0,0]=4 815 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,1,1,0,0,0|2,0,0]=4 816 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,1,1,0,0,0|2,0,0]=4 817 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,1,1,0,0,0|2,0,0]=4 818 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,1,1,0,0,0|2,0,0]=4 819 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,1,1,0,0,0|2,0,0]=4 820 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,1,1,0,0,0|2,0,0]=4 821 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,1,1,0,0,0|2,0,0]=4 822 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,1,1,0,0,0|2,0,0]=4 823 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,1,1,0,0,0|1,0,1]=4 824 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,1,1,0,0,0|1,0,1]=4 825 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [0,1,1,0,0,0|1,0,1]=4 826 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [0,1,1,0,0,0|1,0,1]=4 827 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,1,0,0,0|1,0,0]=3 828 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,1,1,0,0,0|1,0,0]=3 829 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,1,1,0,0,0|1,0,0]=3 830 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,1,1,0,0,0|1,0,0]=3 831 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,1,1,0,0,0|1,0,0]=3 832 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,1,0,0,0|1,0,0]=3 833 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,1,1,0,0,0|2,0,0]=4 834 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,1,1,0,0,0|2,0,0]=4 835 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,1,1,0,0,0|0,0,2]=4 836 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,1,1,0,0,0|0,0,2]=4 837 B10R0.13 C=C(C)C(=O)C(C)OC(=O)C 1458a_100000185857_100009818208 [0,1,1,0,0,0|2,0,0]=4 838 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 11a_100000697320_100015343762 [0,1,1,0,0,0|1,0,0]=3 839 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 240690a_100000697320_100015343762 [0,1,1,0,0,0|1,0,0]=3 840 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 527a_100000697320_100103153847 [0,1,1,0,0,0|1,0,0]=3 841 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,1,1,0,0,0|1,0,0]=3 842 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 11a_100102631434_100011504603 [0,1,1,0,0,0|1,0,0]=3 843 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 1626a_100102631434_100011504603 [0,1,1,0,0,0|1,0,0]=3 844 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 240690a_100102631434_100011504603 [0,1,1,0,0,0|1,0,0]=3 845 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 527a_100102631434_100011504603 [0,1,1,0,0,0|1,0,0]=3 846 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,1,1,0,0,0|2,0,0]=4 847 B10R0.13 CC(=O)OC(C)C(=O)C(C)F 1458a_100000062450_100009818208 [0,1,1,0,0,0|2,0,0]=4 848 B10R0.13 CC(=O)OC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009818208 [0,1,1,0,0,0|2,0,0]=4 849 B10R0.13 CC(=O)OC(C)C(=O)[C@H](C)O 1458a_217856618621_100009818208 [0,1,1,0,0,0|2,0,0]=4 850 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,1,1,0,0,0|2,0,0]=4 851 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 11a_100102631434_100009816467 [0,1,1,0,0,0|2,0,0]=4 852 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 1626a_100102631434_100009816467 [0,1,1,0,0,0|2,0,0]=4 853 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 240690a_100102631434_100009816467 [0,1,1,0,0,0|2,0,0]=4 854 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 527a_100102631434_100009816467 [0,1,1,0,0,0|2,0,0]=4 855 B10R0.32 C#CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000184674 [0,1,1,0,0,0|1,0,1]=4 856 B10R0.32 C=CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210623 [0,1,1,0,0,0|1,0,1]=4 857 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,1,1,0,0,0|2,0,0]=4 858 B10R0.32 CC(=O)N[C@H](C)C(=O)CC#N 1458a_100011504603_100011214920 [0,1,1,0,0,0|1,0,1]=4 859 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,1,1,0,0,0|1,0,0]=3 860 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,1,1,0,0,0|1,0,0]=3 861 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,1,1,0,0,0|2,0,0]=4 862 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,1,1,0,0,0|2,0,0]=4 863 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,1,1,0,0,0|2,0,0]=4 864 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,1,0,0,0|2,0,0]=4 865 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,1,0,0,0|2,0,0]=4 866 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,1,0,0,0|1,0,0]=3 867 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,1,0,0,0|2,0,0]=4 868 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,1,1,0,0,0|1,0,0]=3 869 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,1,1,0,0,0|1,0,0]=3 870 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,1,1,0,0,0|1,0,0]=3 871 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,1,1,0,0,0|1,0,0]=3 872 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,1,1,0,0,0|1,0,0]=3 873 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,1,1,0,0,0|1,0,0]=3 874 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,1,1,0,0,0|1,0,0]=3 875 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 876 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 877 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 878 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,1,0,0,0|0,1,0]=3 879 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,1,1,0,0,0|0,0,0]=2 880 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,1,1,0,0,0|0,0,0]=2 881 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,1,1,0,0,0|0,0,0]=2 882 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,1,1,0,0,0|0,0,0]=2 883 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,1,0,0,0|1,0,1]=4 884 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,1,1,0,0,0|1,0,0]=3 885 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,1,0,0,0|1,1,0]=4 886 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,1,0,0,0|1,0,0]=3 887 B10R0.37 CNC(=O)[C@@H](C)NS(=O)(=O)C 40a_100000684985_100000738038 [0,1,1,0,0,0|2,0,0]=4 888 B10R0.46 C=CC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_200121576911 [0,1,1,0,0,0|1,0,1]=4 889 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,1,1,0,0,0|2,0,0]=4 890 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,1,1,0,0,0|1,0,0]=3 891 B10R0.46 CCC(=O)NC(C)C(=O)CF 1458a_100000194823_100015361967 [0,1,1,0,0,0|2,0,0]=4 892 B10R0.46 CCC(=O)NC(C)C(=O)NC 11a_106832991635_100000194823 [0,1,1,0,0,0|1,0,0]=3 893 B10R0.46 CCC(=O)NC(C)C(=O)NC 1626a_100102657272_100000194823 [0,1,1,0,0,0|1,0,0]=3 894 B10R0.46 CCC(=O)NC(C)C(=O)NC 240690a_100102657272_100000194823 [0,1,1,0,0,0|1,0,0]=3 895 B10R0.46 CCC(=O)NC(C)C(=O)NC 527a_100102657272_100000194823 [0,1,1,0,0,0|1,0,0]=3 896 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000210414 [0,1,1,0,0,0|1,0,0]=3 897 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000210414 [0,1,1,0,0,0|1,0,0]=3 898 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000210414 [0,1,1,0,0,0|1,0,0]=3 899 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,1,1,0,0,0|0,1,0]=3 900 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,1,1,0,0,0|2,0,0]=4 901 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,1,1,0,0,0|2,0,0]=4 902 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,1,1,0,0,0|2,0,0]=4 903 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 2708a_100102657272_100000684985 [0,1,1,0,0,0|1,0,0]=3 904 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100102657272 [0,1,1,0,0,0|1,0,0]=3 905 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100102657272 [0,1,1,0,0,0|1,0,0]=3 906 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_106832991638_100000684985 [0,1,1,0,0,0|1,0,0]=3 907 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 240690a_100000684985_100000210174 [0,1,1,0,0,0|1,0,0]=3 908 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 527a_100000684985_100000210174 [0,1,1,0,0,0|1,0,0]=3 909 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,1,1,0,0,0|0,1,0]=3 910 B10R0.56 COC(=O)C(C)N(C)C(=O)C 11a_100000725243_100015343762 [0,1,1,0,0,0|0,1,0]=3 911 B10R0.56 COC(=O)C(C)N(C)C(=O)C 240690a_100000725243_100015343762 [0,1,1,0,0,0|0,1,0]=3 912 B10R0.56 COC(=O)C(C)N(C)C(=O)C 527a_100000725243_100103153847 [0,1,1,0,0,0|0,1,0]=3 913 B10R0.141 CC(=O)NC(C)(C)C(=O)CF 1458a_100000750020_100015361967 [0,1,1,0,0,0|2,0,0]=4 914 B10R0.141 CCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210202 [0,1,1,0,0,0|1,0,0]=3 915 B10R0.141 CCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210202 [0,1,1,0,0,0|2,0,0]=4 916 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 11a_106832991635_100000750020 [0,1,1,0,0,0|1,0,0]=3 917 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 240690a_100102657272_100000750020 [0,1,1,0,0,0|1,0,0]=3 918 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 527a_100102657272_100000750020 [0,1,1,0,0,0|1,0,0]=3 919 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 1626a_100102657272_200000137501 [0,1,1,0,0,0|2,0,0]=4 920 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 240690a_100102657272_200000137501 [0,1,1,0,0,0|2,0,0]=4 921 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 527a_100102657272_200000137501 [0,1,1,0,0,0|2,0,0]=4 922 B10R0.141 COC(=O)C(C)(C)CC(=O)C 1458a_100000106591_200000210301 [0,1,1,0,0,0|1,1,0]=4 923 B10R0.141 COC(=O)C(C)(C)CC(=O)[13CH3] 1458a_100000106591_200025704644 [0,1,1,0,0,0|1,1,0]=4 924 B10R0.141 COC(=O)C(C)(C)NC(=O)C 188690a_100000737553_100015343762 [0,1,1,0,0,0|0,1,0]=3 925 B10R0.53 C=CC(=O)NC(CC)C(=O)N 1626a_100000733705_100000185746 [0,1,1,0,0,0|1,0,1]=4 926 B10R0.53 C=CC(=O)NC(CC)C(=O)N 240690a_100000733705_200121576911 [0,1,1,0,0,0|1,0,1]=4 927 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [0,1,1,0,0,0|1,0,0]=3 928 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [0,1,1,0,0,0|1,0,0]=3 929 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [0,1,1,0,0,0|1,0,0]=3 930 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [0,1,1,0,0,0|1,0,0]=3 931 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [0,1,1,0,0,0|2,0,0]=4 932 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [0,1,1,0,0,0|1,0,0]=3 933 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [0,1,1,0,0,0|1,0,0]=3 934 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [0,1,1,0,0,0|1,0,0]=3 935 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [0,1,1,0,0,0|1,0,0]=3 936 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [0,1,1,0,0,0|1,0,0]=3 937 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [0,1,1,0,0,0|1,0,0]=3 938 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100102657272 [0,1,1,0,0,0|2,0,0]=4 939 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100102657272_100000729942 [0,1,1,0,0,0|2,0,0]=4 940 B10R0.53 NC(=O)[C@H](CO)NC(=O)CO 240690a_100000729942_100000210174 [0,1,1,0,0,0|2,0,0]=4 941 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [0,1,1,0,0,0|1,0,0]=3 942 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [0,1,1,0,0,0|1,0,0]=3 943 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [0,1,1,0,0,0|1,0,0]=3 944 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [0,1,1,0,0,0|1,0,0]=3 945 B10R0.95 CCC(NS(=O)(=O)C)C(=O)N 40a_100000733705_100000738038 [0,1,1,0,0,0|2,0,0]=4 946 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,1,1,0,0,0|1,0,0]=3 947 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,1,1,0,0,0|1,0,0]=3 948 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,1,1,0,0,0|1,0,0]=3 949 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,1,1,0,0,0|1,0,0]=3 950 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,1,1,0,0,0|1,0,0]=3 951 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,1,1,0,0,0|1,0,0]=3 952 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,1,1,0,0,0|1,0,0]=3 953 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,1,1,0,0,0|1,0,0]=3 954 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,1,1,0,0,0|1,0,0]=3 955 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,1,1,0,0,0|1,0,0]=3 956 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,1,1,0,0,0|1,0,0]=3 957 B10R0.162 CC(=O)O[C@@H](C(=O)C)C(C)C 1458a_100016231877_200000210301 [0,1,1,0,0,0|2,0,0]=4 958 B10R0.162 CC(=O)O[C@@H](C(=O)[13CH3])C(C)C 1458a_100016231877_200025704644 [0,1,1,0,0,0|2,0,0]=4 959 B10R0.26 CC(=O)N(C)CC(=O)CCF 1458a_100000194957_100011217306 [0,1,1,0,0,0|2,0,0]=4 960 B10R0.26 CC(=O)N(C)CC(=O)CCO 1458a_100000194957_100000211926 [0,1,1,0,0,0|2,0,0]=4 961 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,1,1,0,0,0|2,0,0]=4 962 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,1,0,0,0|1,0,0]=3 963 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,1,0,0,0|2,0,0]=4 964 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,1,1,0,0,0|1,0,0]=3 965 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,1,1,0,0,0|1,0,0]=3 966 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,1,1,0,0,0|1,0,0]=3 967 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,1,1,0,0,0|1,0,0]=3 968 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,1,1,0,0,0|1,0,0]=3 969 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,1,1,0,0,0|1,0,0]=3 970 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,1,1,0,0,0|1,0,0]=3 971 B10R0.26 CCNC(=O)CN(C)C(=O)N 240690a_100015525214_100000218718 [0,1,1,0,0,0|2,0,0]=4 972 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,1,0,0,0|1,1,0]=4 973 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,1,0,0,0|0,1,0]=3 974 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,1,0,0,0|0,1,0]=3 975 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,1,0,0,0|0,1,0]=3 976 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,1,0,0,0|0,1,0]=3 977 B10R0.26 CNNC(=O)CN(C)C(=O)C 22a_100016993582_100000194957 [0,1,1,0,0,0|2,0,0]=4 978 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,1,1,0,0,0|1,0,0]=3 979 B10R0.57 CCC(C)C(=O)CNC(=O)N 1458a_100000184981_100000758301 [0,1,1,0,0,0|2,0,0]=4 980 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,1,1,0,0,0|2,0,0]=4 981 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,1,1,0,0,0|2,0,0]=4 982 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000189765_100011192722 [0,1,1,0,0,0|2,0,0]=4 983 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000740736_100000070787 [0,1,1,0,0,0|2,0,0]=4 984 B10R0.57 CCC(O)C(=O)NNC(=O)C 22a_100000189765_100011196387 [0,1,1,0,0,0|2,0,0]=4 985 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,1,1,0,0,0|1,0,0]=3 986 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,1,1,0,0,0|1,0,0]=3 987 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,1,1,0,0,0|1,0,0]=3 988 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,1,1,0,0,0|1,0,0]=3 989 B10R0.57 CCN(C)C(=O)CNC(=O)N 240690a_100000225621_100000184981 [0,1,1,0,0,0|2,0,0]=4 990 B10R0.57 CCN(C)C(=O)CNC(=O)N 527a_100000225621_100000184981 [0,1,1,0,0,0|2,0,0]=4 991 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 992 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 993 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 994 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 995 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 996 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 997 B10R0.57 CON(C)C(=O)CNC(=O)C 11a_100015207273_100015343762 [0,1,1,0,0,0|2,0,0]=4 998 B10R0.57 CON(C)C(=O)CNC(=O)C 527a_100015207273_100103153847 [0,1,1,0,0,0|2,0,0]=4 999 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,1,1,0,0,0|1,0,1]=4 1000 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,1,0,0,0|2,0,0]=4 1001 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,1,0,0,0|1,1,0]=4 1002 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,1,0,0,0|1,0,0]=3 1003 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,1,0,0,0|1,0,0]=3 1004 B10R0.96 CC(=O)NCC(=O)CC(F)F 1458a_100000194580_100011934356 [0,1,1,0,0,0|2,0,0]=4 1005 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,1,0,0,0|1,0,0]=3 1006 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,1,0,0,0|1,0,0]=3 1007 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,1,0,0,0|1,0,0]=3 1008 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,1,0,0,0|1,0,0]=3 1009 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,1,0,0,0|1,0,0]=3 1010 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,1,0,0,0|1,0,0]=3 1011 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,1,0,0,0|1,0,0]=3 1012 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,1,0,0,0|1,0,0]=3 1013 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,1,1,0,0,0|2,0,0]=4 1014 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,1,1,0,0,0|2,0,0]=4 1015 B10R0.96 CC(=O)NNC(=O)C[C@@H](C)O 22a_100000189765_100011933948 [0,1,1,0,0,0|2,0,0]=4 1016 B10R0.96 CC(=O)NNC(=O)NC(C)C 273464a_100138425928_100000189765 [0,1,1,0,0,0|2,0,0]=4 1017 B10R0.96 CC(=O)NNC(=O)NC(C)C 512a_100000189765_100138425928 [0,1,1,0,0,0|2,0,0]=4 1018 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,1,0,0,0|2,0,0]=4 1019 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,1,0,0,0|2,0,0]=4 1020 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,1,0,0,0|2,0,0]=4 1021 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,1,0,0,0|2,0,0]=4 1022 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,1,0,0,0|2,0,0]=4 1023 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,1,0,0,0|2,0,0]=4 1024 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,1,0,0,0|2,0,0]=4 1025 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,1,0,0,0|2,0,0]=4 1026 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,1,0,0,0|2,0,0]=4 1027 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,1,0,0,0|2,0,0]=4 1028 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,1,0,0,0|2,0,0]=4 1029 B10R0.96 CC(C)NC(=O)CNC(=O)N 240690a_100138425928_100000184981 [0,1,1,0,0,0|2,0,0]=4 1030 B10R0.96 CC(C)NC(=O)CNC(=O)N 527a_100138425928_100000184981 [0,1,1,0,0,0|2,0,0]=4 1031 B10R0.96 CC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218427 [0,1,1,0,0,0|2,0,0]=4 1032 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,1,1,0,0,0|1,0,1]=4 1033 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,1,1,0,0,0|1,0,1]=4 1034 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,1,1,0,0,0|1,0,1]=4 1035 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,1,1,0,0,0|1,0,1]=4 1036 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,1,1,0,0,0|1,0,1]=4 1037 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,1,1,0,0,0|1,0,1]=4 1038 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,1,1,0,0,0|2,0,0]=4 1039 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,1,1,0,0,0|2,0,0]=4 1040 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [0,1,1,0,0,0|2,0,0]=4 1041 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,1,0,0,0|2,0,0]=4 1042 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,1,0,0,0|2,0,0]=4 1043 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,1,0,0,0|1,0,0]=3 1044 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,1,0,0,0|1,0,0]=3 1045 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,1,1,0,0,0|2,0,0]=4 1046 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,1,1,0,0,0|2,0,0]=4 1047 B10R0.108 CCCC(=O)NNC(=O)CO 22a_100000189770_100000210174 [0,1,1,0,0,0|2,0,0]=4 1048 B10R0.108 CCCC(=O)NNC(=O)NC 273464a_100102657272_100000189770 [0,1,1,0,0,0|2,0,0]=4 1049 B10R0.108 CCCC(=O)NNC(=O)NC 512a_100000189770_100102657272 [0,1,1,0,0,0|2,0,0]=4 1050 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,1,0,0,0|2,0,0]=4 1051 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,1,0,0,0|2,0,0]=4 1052 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,1,0,0,0|2,0,0]=4 1053 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,1,0,0,0|2,0,0]=4 1054 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,1,0,0,0|2,0,0]=4 1055 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,1,0,0,0|2,0,0]=4 1056 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,1,0,0,0|2,0,0]=4 1057 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,1,0,0,0|2,0,0]=4 1058 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,1,0,0,0|2,0,0]=4 1059 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,1,0,0,0|2,0,0]=4 1060 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,1,0,0,0|2,0,0]=4 1061 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,1,0,0,0|1,0,0]=3 1062 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,1,0,0,0|1,0,0]=3 1063 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,1,0,0,0|1,0,0]=3 1064 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,1,0,0,0|1,0,0]=3 1065 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,1,0,0,0|1,0,0]=3 1066 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,1,0,0,0|1,0,0]=3 1067 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,1,0,0,0|1,0,0]=3 1068 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,1,1,0,0,0|1,0,0]=3 1069 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,1,1,0,0,0|1,0,0]=3 1070 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [0,1,1,0,0,0|1,0,0]=3 1071 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [0,1,1,0,0,0|1,0,0]=3 1072 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [0,1,1,0,0,0|1,0,0]=3 1073 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [0,1,1,0,0,0|1,0,0]=3 1074 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [0,1,1,0,0,0|1,0,0]=3 1075 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [0,1,1,0,0,0|1,0,0]=3 1076 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,1,0,0,0|1,0,0]=3 1077 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,1,0,0,0|1,0,0]=3 1078 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,1,0,0,0|1,0,0]=3 1079 B10R0.108 CCNC(=O)NNC(=O)CC 273464a_100015525214_100000183195 [0,1,1,0,0,0|2,0,0]=4 1080 B10R0.108 CCNC(=O)NNC(=O)CC 512a_100015525214_100000183195 [0,1,1,0,0,0|2,0,0]=4 1081 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,1,0,0,0|1,1,0]=4 1082 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,1,0,0,0|1,1,0]=4 1083 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,1,0,0,0|1,1,0]=4 1084 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,1,0,0,0|1,1,0]=4 1085 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,1,0,0,0|1,1,0]=4 1086 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,1,0,0,0|0,1,0]=3 1087 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,1,0,0,0|0,1,0]=3 1088 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,1,1,0,0,0|2,0,0]=4 1089 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,1,1,0,0,0|2,0,0]=4 1090 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,1,1,0,0,0|2,0,0]=4 1091 B10R0.109 CCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210303 [0,1,1,0,0,0|2,0,0]=4 1092 B10R0.109 CCNC(=O)CNS(=O)(=O)C 11a_100015525214_100000737300 [0,1,1,0,0,0|2,0,0]=4 1093 B10R0.109 CCNC(=O)CNS(=O)(=O)C 240690a_100015525214_100000737300 [0,1,1,0,0,0|2,0,0]=4 1094 B10R0.109 CCNC(=O)CNS(=O)(=O)C 40a_100016988866_100000738038 [0,1,1,0,0,0|2,0,0]=4 1095 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [1,1,0,0,0,0|0,1,1]=4 1100 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [1,1,0,0,0,0|0,1,1]=4 1101 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [1,1,0,0,0,0|0,1,1]=4 1102 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [1,1,0,0,0,0|0,1,1]=4 1103 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [1,1,0,0,0,0|0,1,1]=4 1109 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [1,1,0,0,0,0|0,1,1]=4 1110 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [1,1,0,0,0,0|0,1,1]=4 1111 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [1,1,0,0,0,0|0,1,1]=4 1112 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [1,1,0,0,0,0|0,1,1]=4 1113 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [1,1,0,0,0,0|0,1,1]=4 1114 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [1,1,0,0,0,0|0,1,1]=4 1125 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [1,1,0,0,0,0|0,1,1]=4 1126 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [1,1,0,0,0,0|0,1,1]=4 1127 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [1,1,0,0,0,0|0,1,1]=4 1128 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [1,1,0,0,0,0|0,1,1]=4 1129 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [1,1,0,0,0,0|0,1,1]=4 1130 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [1,1,0,0,0,0|0,1,1]=4 1131 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [1,1,0,0,0,0|0,1,1]=4 1132 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [1,1,0,0,0,0|0,1,1]=4 1133 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [1,1,0,0,0,0|0,1,1]=4 1134 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [1,1,0,0,0,0|0,1,1]=4 1135 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [1,1,0,0,0,0|0,1,1]=4 1139 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [1,1,0,0,0,0|0,1,1]=4 1140 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [1,1,0,0,0,0|0,1,1]=4 1141 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [1,1,0,0,0,0|0,1,1]=4 1142 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [1,1,0,0,0,0|0,1,1]=4 1152 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [1,1,0,0,0,0|0,1,1]=4 1153 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [1,1,0,0,0,0|0,1,1]=4 1154 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [1,1,0,0,0,0|0,1,1]=4 1155 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.29 C=CCNC1CCNC1=O 2230a_100016995588_100000210623 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.29 C=CCNC1CCNC1=O 34a_100016995588_100015514636 [1,1,0,0,0,0|1,0,1]=4 1158 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [1,1,0,0,0,0|0,1,1]=4 1159 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,1,0,0,0,0|0,1,1]=4 1172 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,1,0,0,0,0|0,1,1]=4 1173 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,1,0,0,0,0|0,1,1]=4 1174 B10R1.29 O=CCNC1CCNC1=O 2230a_100016995588_200015260668 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.29 O=CCNC1CCNC1=O 34a_100016995588_200009817547 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.29 O=CCN[C@@H]1CONC1=O 2230a_100000765999_200015260668 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.29 O=CCN[C@@H]1CONC1=O 34a_100000765999_200009817547 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.29 O=CCO[C@H]1CCNC1=O 34a_100000688343_200009817547 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [1,1,0,0,0,0|1,1,0]=4 1183 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [1,1,0,0,0,0|1,1,0]=4 1184 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,1,0,0,0,0|0,1,1]=4 1186 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [1,1,0,0,0,0|0,1,1]=4 1189 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [1,1,0,0,0,0|0,1,1]=4 1190 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,1,0,0,1,0|0,1,0]=3 1191 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,1,0,0,1,0|1,0,0]=3 1192 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,1,0,0,1,0|1,0,0]=3 1193 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,1,0,0,1,0|1,0,0]=3 1194 B10R1.116 C=C(C)C(=O)C1CCC1=O 1458a_100000185857_100009892977 [0,1,0,0,1,0|2,0,0]=4 1195 B10R1.116 CC(C)N(C)C1CCC1=O 269982a_200000211004_100009892977 [0,1,0,0,1,0|1,0,1]=4 1196 B10R1.463 C#CC(C)NC1CCC1=O 34a_100000707721_100009892977 [0,1,0,0,1,0|1,0,1]=4 1197 B12R1.151 CS(=O)(=O)NC1CCCNC1=O 40a_100000747585_100000738038 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 11a_100000691121_100015343762 [0,1,0,0,0,1|1,0,0]=3 1199 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 1626a_100000691121_100015343762 [0,1,0,0,0,1|1,0,0]=3 1200 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 240690a_100000691121_100015343762 [0,1,0,0,0,1|1,0,0]=3 1201 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 527a_100000691121_100103153847 [0,1,0,0,0,1|1,0,0]=3 1202 B12R1.371 C=CC(=O)NC1CCCNC1=O 1626a_100000747585_100000185746 [0,1,0,0,0,1|1,0,1]=4 1203 B12R1.371 C=CC(=O)NC1CCCNC1=O 240690a_100000747585_200121576911 [0,1,0,0,0,1|1,0,1]=4 1204 B12R1.371 CCC(=O)NC1CCCNC1=O 11a_100000747585_100000210414 [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.371 CCC(=O)NC1CCCNC1=O 1626a_100000747585_100000210414 [0,1,0,0,0,1|1,0,0]=3 1206 B12R1.371 CCC(=O)NC1CCCNC1=O 240690a_100000747585_100000210414 [0,1,0,0,0,1|1,0,0]=3 1207 B12R1.371 CCC(=O)NC1CCCNC1=O 527a_100000747585_100000210414 [0,1,0,0,0,1|1,0,0]=3 1208 B12R1.371 CNC(=O)NC1CCCNC1=O 2708a_100102657272_100000747585 [0,1,0,0,0,1|1,0,0]=3 1209 B12R1.371 CNC(=O)NC1CCCNC1=O 273464a_100000747585_100102657272 [0,1,0,0,0,1|1,0,0]=3 1210 B12R1.371 CNC(=O)NC1CCCNC1=O 273464a_100102657272_100000747585 [0,1,0,0,0,1|1,0,0]=3 1211 B12R1.371 CNC(=O)NC1CCCNC1=O 512a_100000747585_100102657272 [0,1,0,0,0,1|1,0,0]=3 1212 B12R1.371 CNC(=O)NC1CCCNC1=O 512a_106832991638_100000747585 [0,1,0,0,0,1|1,0,0]=3 1213 B12R1.371 O=C(CO)NC1CCCNC1=O 240690a_100000747585_100000210174 [0,1,0,0,0,1|1,0,0]=3 1214 B12R1.371 O=C(CO)NC1CCCNC1=O 527a_100000747585_100000210174 [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.144 C=C(C)CN(C)C1CCCC1=O 2230a_100000225649_100000211823 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.144 C=C(C)CN(C)C1CCCC1=O 269982a_100000225649_100000211823 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.144 C=C(C)CN(C)C1CCOC1=O 2230a_100000225649_100000211211 [0,1,0,0,0,1|1,1,0]=4 1218 B12R1.144 C=C(C)CN(C)C1CCOC1=O 269982a_100000225649_100000211211 [0,1,0,0,0,1|1,1,0]=4 1219 B12R1.144 CN(CC(=O)N)C1CCCC1=O 2230a_100000739694_100000211823 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.144 CN(CC(=O)N)C1CCOC1=O 2230a_100000739694_100000211211 [0,1,0,0,0,1|1,1,0]=4 1221 B12R1.144 CN(CC(=O)O)C1CCCC1=O 269956a_100000746989_100000211823 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.145 C=C(Br)C(=O)NC1CCSC1=O 11a_100000184058_100009813364 [0,1,0,0,0,1|1,0,1]=4 1223 B12R1.145 C=C(Br)C(=O)NC1CCSC1=O 1626a_100000184058_100009813364 [0,1,0,0,0,1|1,0,1]=4 1224 B12R1.145 C=C(C)C(=O)NC1CCNC1=O 11a_100016995588_100000185857 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.145 C=C(C)C(=O)NC1CCNC1=O 1626a_100016995588_100000185857 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.145 C=C(C)C(=O)NC1CCSC1=O 11a_100000184058_100000185857 [0,1,0,0,0,1|1,0,0]=3 1227 B12R1.145 C=C(C)C(=O)NC1CCSC1=O 1626a_100000184058_100000185857 [0,1,0,0,0,1|1,0,0]=3 1228 B12R1.145 C=C(Cl)C(=O)NC1CCSC1=O 11a_100000184058_100000039160 [0,1,0,0,0,1|1,0,1]=4 1229 B12R1.145 C=C(Cl)C(=O)NC1CCSC1=O 1626a_100000184058_100000039160 [0,1,0,0,0,1|1,0,1]=4 1230 B12R1.145 C=C(F)C(=O)NC1CCSC1=O 11a_100000184058_100000036797 [0,1,0,0,0,1|1,0,1]=4 1231 B12R1.145 C=C(F)C(=O)NC1CCSC1=O 1626a_100000184058_100000036797 [0,1,0,0,0,1|1,0,1]=4 1232 B12R1.145 CC(=O)C(C)NC1CCNC1=O 2230a_100016995588_100009814033 [0,1,0,0,0,1|1,0,0]=3 1233 B12R1.145 CC(=O)C(C)N[C@@H]1CONC1=O 2230a_100000765999_100009814033 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.145 CC(=O)C(C)OC1CCCC1=O 34a_100000212229_100000709159 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.145 CC(=O)C(C)OC1CCOC1=O 34a_100000212229_100000211211 [0,1,0,0,0,1|1,1,0]=4 1236 B12R1.145 CC(=O)C(C)SC1CCCC1=O 62a_100000211823_100009814033 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.145 CC(=O)C(C)SC1CCCC1=O 62a_100009814033_100000211823 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.145 CC(=O)C(C)SC1CCOC1=O 62a_100000211211_100009814033 [0,1,0,0,0,1|1,1,0]=4 1239 B12R1.145 CC(=O)C(C)SC1CCOC1=O 62a_100009814033_100000211211 [0,1,0,0,0,1|1,1,0]=4 1240 B12R1.145 CC(C)C(=O)NC1CCSC1=O 11a_100000184058_100000210198 [0,1,0,0,0,1|1,0,1]=4 1241 B12R1.145 CC(C)C(=O)NC1CCSC1=O 1626a_100000184058_100000210198 [0,1,0,0,0,1|1,0,1]=4 1242 B12R1.145 CC(C)C(=O)NC1CCSC1=O 240690a_100000184058_100000210198 [0,1,0,0,0,1|1,0,1]=4 1243 B12R1.145 CC(C)C(=O)NC1CCSC1=O 527a_100000184058_100000210198 [0,1,0,0,0,1|1,0,1]=4 1244 B12R1.145 CC(F)C(=O)NC1CCSC1=O 11a_100000184058_100000062450 [0,1,0,0,0,1|1,0,1]=4 1245 B12R1.145 CC(F)C(=O)NC1CCSC1=O 1626a_100000184058_100000062450 [0,1,0,0,0,1|1,0,1]=4 1246 B12R1.145 CC(F)C(=O)NC1CCSC1=O 240690a_100000184058_100000062450 [0,1,0,0,0,1|1,0,1]=4 1247 B12R1.145 CC(F)C(=O)NC1CCSC1=O 527a_100000184058_100000062450 [0,1,0,0,0,1|1,0,1]=4 1248 B12R1.145 CC(NC1CCNC1=O)C(=O)N 2230a_100016995588_100000702099 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.145 CC(NC1CCNC1=O)C(=O)N 34a_100016995588_100000702099 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)N 2230a_100000119354_100000211823 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)N 34a_100000119354_100000709159 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.145 C[C@@H](NC1CCOC1=O)C(=O)N 2230a_100000119354_100000211211 [0,1,0,0,0,1|1,1,0]=4 1253 B12R1.145 C[C@@H](NC1CCOC1=O)C(=O)N 34a_100000119354_100000211211 [0,1,0,0,0,1|1,1,0]=4 1254 B12R1.145 C[C@@H](O)C(=O)NC1CCSC1=O 240690a_100000184058_100000717761 [0,1,0,0,0,1|0,0,2]=4 1255 B12R1.145 C[C@H](NC1CCCC1=O)C(=O)O 269956a_100000743915_100000211823 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.145 C[C@H](O)C(=O)NC1CCSC1=O 1626a_100000184058_217856618621 [0,1,0,0,0,1|0,0,2]=4 1257 B12R1.145 C[C@H](O)C(=O)NC1CCSC1=O 240690a_100000184058_217856618621 [0,1,0,0,0,1|0,0,2]=4 1258 B12R1.145 NC(=O)C(=O)NC1CCNC1=O 240690a_100016995588_100011215815 [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.145 NC(=O)C(=O)NC1CCSC1=O 240690a_100000184058_100011215815 [0,1,0,0,0,1|1,0,0]=3 1260 B12R1.145 NC(=O)C(F)NC1CCNC1=O 2230a_100016995588_100009813875 [0,1,0,0,0,1|2,0,0]=4 1261 B12R1.145 NC(=O)C(F)NC1CCNC1=O 34a_100016995588_100009813875 [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.145 O=C([O-])C(F)NC1CCNC1=O 34a_100016995588_100020610796 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,0,0,1|1,1,0]=4 1264 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.353 CCC(=O)COC1CCOC1=O 34a_100000725409_100000211211 [0,1,0,0,0,1|1,1,0]=4 1266 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000211211_100000747405 [0,1,0,0,0,1|1,1,0]=4 1269 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000747405_100000211211 [0,1,0,0,0,1|1,1,0]=4 1270 B12R1.353 CNC(=O)CCC1CCOC1=O 11a_106832991635_100000117037 [0,1,0,0,0,1|1,1,0]=4 1271 B12R1.353 CNC(=O)CCC1CCOC1=O 1626a_100102657272_100000117037 [0,1,0,0,0,1|1,1,0]=4 1272 B12R1.353 CNC(=O)CCC1CCOC1=O 240690a_100102657272_100000117037 [0,1,0,0,0,1|1,1,0]=4 1273 B12R1.353 CNC(=O)CCC1CCOC1=O 527a_100102657272_100000117037 [0,1,0,0,0,1|1,1,0]=4 1274 B12R1.353 CNC(=O)CNC1CCCC1=O 2230a_100000693194_100000211823 [0,1,0,0,0,1|1,0,0]=3 1275 B12R1.353 CNC(=O)CNC1CCNC1=O 2230a_100016995588_100000183359 [0,1,0,0,0,1|1,0,0]=3 1276 B12R1.353 CNC(=O)CNC1CCNC1=O 34a_100016995588_100000183359 [0,1,0,0,0,1|1,0,0]=3 1277 B12R1.353 CNC(=O)CNC1CCOC1=O 2230a_100000693194_100000211211 [0,1,0,0,0,1|0,1,0]=3 1278 B12R1.353 CNC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000183359 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.353 CNC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000183359 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.353 CNC(=O)COC1CCCC1=O 34a_100000750040_100000709159 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.353 CNC(=O)COC1CCCC1=O 34a_200000719330_100000183359 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.353 CNC(=O)COC1CCOC1=O 34a_100000750040_100000211211 [0,1,0,0,0,1|1,1,0]=4 1283 B12R1.353 CNC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000183359 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000183359_100000211823 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000211823_100000183359 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.353 CNC(=O)CSC1CCOC1=O 62a_100000183359_100000211211 [0,1,0,0,0,1|1,1,0]=4 1287 B12R1.353 CNC(=O)CSC1CCOC1=O 62a_100000211211_100000183359 [0,1,0,0,0,1|1,1,0]=4 1288 B12R1.353 COC(=O)CNC1CCNC1=O 2230a_100016995588_100000747449 [0,1,0,0,0,1|1,0,0]=3 1289 B12R1.353 COC(=O)CNC1CCNC1=O 34a_100016995588_100000747449 [0,1,0,0,0,1|1,0,0]=3 1290 B12R1.353 COC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000747449 [0,1,0,0,0,1|2,0,0]=4 1291 B12R1.353 COC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000747449 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.353 COC(=O)COC1CCCC1=O 34a_200000719330_100000747449 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.353 COC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000747449 [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000211823_100000747449 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000747449_100000211823 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.353 COC(=O)CSC1CCOC1=O 62a_100000211211_100000747449 [0,1,0,0,0,1|1,1,0]=4 1297 B12R1.353 COC(=O)CSC1CCOC1=O 62a_100000747449_100000211211 [0,1,0,0,0,1|1,1,0]=4 1298 B12R1.353 O=C(CF)CCC1CCOC1=O 1458a_100000117037_100015361967 [0,1,0,0,0,1|1,1,0]=4 1299 B12R1.861 CC(=O)COC1CC(OC1=O)C 34a_100000211253_200000216747 [0,1,0,0,0,1|1,1,0]=4 1300 B12R1.861 CC1CC(C(=O)O1)NCC(=O)N 2230a_100000711301_200000216747 [0,1,0,0,0,1|1,1,0]=4 1301 B12R1.870 CC(=O)COC1CCN(C1=O)C 34a_100000211253_100000755940 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.870 CC(=O)NN=C1CCN(C1=O)C 4a_100000189765_100000709830 [0,1,0,0,0,1|1,0,1]=4 1303 B12R1.870 CN1CCC(C1=O)NCC(=O)N 2230a_100000711301_100000755940 [0,1,0,0,0,1|2,0,0]=4 1304 B12R1.870 CN1CCC(C1=O)NCC(=O)O 269956a_100016091260_100000755940 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 11a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1306 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 1626a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1307 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 240690a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1308 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 527a_100000126938_100103153847 [0,1,0,0,0,1|1,0,0]=3 1309 B12R1.50 C=CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000185746 [0,1,0,0,0,1|1,0,1]=4 1310 B12R1.50 C=CC(=O)NC1CCNC(=O)C1 240690a_100016994916_200121576911 [0,1,0,0,0,1|1,0,1]=4 1311 B12R1.50 CCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000210414 [0,1,0,0,0,1|1,0,0]=3 1312 B12R1.50 CCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000210414 [0,1,0,0,0,1|1,0,0]=3 1313 B12R1.50 CCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000210414 [0,1,0,0,0,1|1,0,0]=3 1314 B12R1.50 CCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000210414 [0,1,0,0,0,1|1,0,0]=3 1315 B12R1.50 CNC(=O)NC1CCNC(=O)C1 2708a_100016994916_106832991635 [0,1,0,0,0,1|1,0,0]=3 1316 B12R1.50 CNC(=O)NC1CCNC(=O)C1 2708a_100102657272_100016994916 [0,1,0,0,0,1|1,0,0]=3 1317 B12R1.50 CNC(=O)NC1CCNC(=O)C1 273464a_100016994916_100102657272 [0,1,0,0,0,1|1,0,0]=3 1318 B12R1.50 CNC(=O)NC1CCNC(=O)C1 273464a_100102657272_100016994916 [0,1,0,0,0,1|1,0,0]=3 1319 B12R1.50 CNC(=O)NC1CCNC(=O)C1 512a_106832991638_100016994916 [0,1,0,0,0,1|1,0,0]=3 1320 B12R1.50 O=C1CC(CCN1)NC(=O)CO 240690a_100016994916_100000210174 [0,1,0,0,0,1|1,0,0]=3 1321 B12R1.50 O=C1CC(CCN1)NC(=O)CO 527a_100016994916_100000210174 [0,1,0,0,0,1|1,0,0]=3 1322 B12R1.119 CS(=O)(=O)NC1CCNC(=O)C1 40a_100016994916_100000738038 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.468 CNC(=O)C(=O)C1CCCC1=O 1458a_100011218921_100000211823 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.468 CNC(=O)C(=O)C1CCOC1=O 1458a_100011218921_100000211211 [0,2,0,0,0,0|1,1,0]=4 1325 B12R1.205 CCS(=O)(=O)NC1CCNC1=O 270084a_100016995588_100000211323 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.205 CCS(=O)(=O)NC1CCNC1=O 274078a_100016995588_100000211323 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.205 CCS(=O)(=O)NC1CCNC1=O 40a_100016995588_100000053943 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.205 CCS(=O)(=O)NC1CCSC1=O 270084a_100000184058_100000211323 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.205 CCS(=O)(=O)NC1CCSC1=O 274078a_100000184058_100000211323 [0,2,0,0,0,0|1,0,0]=3 1330 B12R1.205 O=C1NCCC1NS(=O)(=O)CCl 270084a_100016995588_100000031410 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.205 O=C1NCCC1NS(=O)(=O)CCl 274078a_100016995588_100000031410 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.205 O=C1SCCC1NS(=O)(=O)CCl 270084a_100000184058_100000031410 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.205 O=C1SCCC1NS(=O)(=O)CCl 274078a_100000184058_100000031410 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.318 C#CCC(=O)NC1CCNC1=O 1626a_100016995588_100011220946 [0,2,0,0,0,0|1,0,0]=3 1335 B12R1.318 C#CCC(=O)NC1CCNC1=O 527a_100016995588_100011220946 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.318 C#CCC(=O)NC1CCSC1=O 1626a_100000184058_100011220946 [0,2,0,0,0,0|0,0,0]=2 1337 B12R1.318 C#CCC(=O)NC1CCSC1=O 527a_100000184058_100011220946 [0,2,0,0,0,0|0,0,0]=2 1338 B12R1.318 C=CCC(=O)NC1CCNC1=O 11a_100016995588_100000210193 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.318 C=CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210193 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.318 C=CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210193 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.318 C=CCC(=O)NC1CCNC1=O 527a_100016995588_100000210193 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.318 C=CCC(=O)NC1CCSC1=O 11a_100000184058_100000210193 [0,2,0,0,0,0|0,0,0]=2 1343 B12R1.318 C=CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210193 [0,2,0,0,0,0|0,0,0]=2 1344 B12R1.318 C=CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210193 [0,2,0,0,0,0|0,0,0]=2 1345 B12R1.318 C=CCC(=O)NC1CCSC1=O 527a_100000184058_100000210193 [0,2,0,0,0,0|0,0,0]=2 1346 B12R1.318 C=CCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000210193 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.318 CC=CC(=O)NC1CCNC1=O 11a_100016995588_100000210699 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.318 CC=CC(=O)NC1CCNC1=O 1626a_100016995588_100000210699 [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.318 CC=CC(=O)NC1CCNC1=O 240690a_100016995588_100000210699 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.318 CC=CC(=O)NC1CCSC1=O 11a_100000184058_100000210699 [0,2,0,0,0,0|0,0,0]=2 1351 B12R1.318 CC=CC(=O)NC1CCSC1=O 1626a_100000184058_100000210699 [0,2,0,0,0,0|0,0,0]=2 1352 B12R1.318 CC=CC(=O)NC1CCSC1=O 240690a_100000184058_100000210699 [0,2,0,0,0,0|0,0,0]=2 1353 B12R1.318 CC=CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000210699 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.318 CCCC(=O)NC1CCNC1=O 11a_100016995588_100000211992 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.318 CCCC(=O)NC1CCNC1=O 1626a_100016995588_100000211992 [0,2,0,0,0,0|1,0,0]=3 1356 B12R1.318 CCCC(=O)NC1CCNC1=O 240690a_100016995588_100000211992 [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.318 CCCC(=O)NC1CCNC1=O 527a_100016995588_100000211992 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.318 CCCC(=O)NC1CCSC1=O 11a_100000184058_100000211992 [0,2,0,0,0,0|0,0,0]=2 1359 B12R1.318 CCCC(=O)NC1CCSC1=O 1626a_100000184058_100000211992 [0,2,0,0,0,0|0,0,0]=2 1360 B12R1.318 CCCC(=O)NC1CCSC1=O 240690a_100000184058_100000211992 [0,2,0,0,0,0|0,0,0]=2 1361 B12R1.318 CCCC(=O)NC1CCSC1=O 527a_100000184058_100000211992 [0,2,0,0,0,0|0,0,0]=2 1362 B12R1.318 CCCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000211992 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100015525214_100016995588 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100016995588_100015525214 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100015525214_100016995588 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100016995588_100015525214 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100015525214_100016995588 [0,2,0,0,0,0|1,0,0]=3 1368 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100016995588_100015525214 [0,2,0,0,0,0|1,0,0]=3 1369 B12R1.318 CCNC(=O)NC1CCSC1=O 2708a_100015525214_100000184058 [0,2,0,0,0,0|0,0,0]=2 1370 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100000184058_100015525214 [0,2,0,0,0,0|0,0,0]=2 1371 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100015525214_100000184058 [0,2,0,0,0,0|0,0,0]=2 1372 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100000184058_100015525214 [0,2,0,0,0,0|0,0,0]=2 1373 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100015525214_100000184058 [0,2,0,0,0,0|0,0,0]=2 1374 B12R1.318 CCNC(=O)N[C@@H]1CONC1=O 2708a_100015525214_100000765999 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.318 CCNC(=O)N[C@@H]1CONC1=O 273464a_100000765999_100015525214 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.318 CCNC(=O)N[C@@H]1CONC1=O 273464a_100015525214_100000765999 [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.318 CCNC(=O)N[C@@H]1CONC1=O 512a_100000765999_100015525214 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.318 CCNC(=O)N[C@@H]1CONC1=O 512a_100015525214_100000765999 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.318 CNNC(=O)NC1CCNC1=O 273464a_100016995588_100016993582 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.318 CNNC(=O)NC1CCNC1=O 512a_100016993582_100016995588 [0,2,0,0,0,0|1,0,0]=3 1381 B12R1.318 CNNC(=O)NC1CCNC1=O 512a_100016995588_100016993582 [0,2,0,0,0,0|1,0,0]=3 1382 B12R1.318 CNNC(=O)NC1CCSC1=O 273464a_100000184058_100016993582 [0,2,0,0,0,0|0,0,0]=2 1383 B12R1.318 CNNC(=O)NC1CCSC1=O 512a_100000184058_100016993582 [0,2,0,0,0,0|0,0,0]=2 1384 B12R1.318 CNNC(=O)NC1CCSC1=O 512a_100016993582_100000184058 [0,2,0,0,0,0|0,0,0]=2 1385 B12R1.318 CNNC(=O)N[C@@H]1CONC1=O 273464a_100000765999_100016993582 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.318 CNNC(=O)N[C@@H]1CONC1=O 512a_100000765999_100016993582 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.318 CNNC(=O)N[C@@H]1CONC1=O 512a_100016993582_100000765999 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.318 COCC(=O)NC1CCNC1=O 11a_100016995588_100000210968 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.318 COCC(=O)NC1CCNC1=O 1626a_100016995588_100000210968 [0,2,0,0,0,0|1,0,0]=3 1390 B12R1.318 COCC(=O)NC1CCNC1=O 240690a_100016995588_100000210968 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.318 COCC(=O)NC1CCNC1=O 527a_100016995588_100000210968 [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.318 COCC(=O)NC1CCSC1=O 11a_100000184058_100000210968 [0,2,0,0,0,0|0,0,0]=2 1393 B12R1.318 COCC(=O)NC1CCSC1=O 1626a_100000184058_100000210968 [0,2,0,0,0,0|0,0,0]=2 1394 B12R1.318 COCC(=O)NC1CCSC1=O 240690a_100000184058_100000210968 [0,2,0,0,0,0|0,0,0]=2 1395 B12R1.318 COCC(=O)NC1CCSC1=O 527a_100000184058_100000210968 [0,2,0,0,0,0|0,0,0]=2 1396 B12R1.318 COCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000210968 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.318 CSCC(=O)NC1CCNC1=O 11a_100016995588_100000184570 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.318 CSCC(=O)NC1CCNC1=O 1626a_100016995588_100000184570 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.318 CSCC(=O)NC1CCNC1=O 240690a_100016995588_100000184570 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.318 CSCC(=O)NC1CCNC1=O 527a_100016995588_100000184570 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.318 CSCC(=O)NC1CCSC1=O 11a_100000184058_100000184570 [0,2,0,0,0,0|0,0,0]=2 1402 B12R1.318 CSCC(=O)NC1CCSC1=O 1626a_100000184058_100000184570 [0,2,0,0,0,0|0,0,0]=2 1403 B12R1.318 CSCC(=O)NC1CCSC1=O 240690a_100000184058_100000184570 [0,2,0,0,0,0|0,0,0]=2 1404 B12R1.318 CSCC(=O)NC1CCSC1=O 527a_100000184058_100000184570 [0,2,0,0,0,0|0,0,0]=2 1405 B12R1.318 CSCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000184570 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.318 N#CCC(=O)NC1CCNC1=O 1626a_100016995588_100051588842 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.318 N#CCC(=O)NC1CCNC1=O 240690a_100016995588_100051588842 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.318 N#CCC(=O)NC1CCSC1=O 1626a_100000184058_100051588842 [0,2,0,0,0,0|0,0,0]=2 1409 B12R1.318 N#CCC(=O)NC1CCSC1=O 240690a_100000184058_100051588842 [0,2,0,0,0,0|0,0,0]=2 1410 B12R1.318 O=C(C=CBr)NC1CCNC1=O 1626a_100016995588_100016273825 [0,2,0,0,0,0|1,0,1]=4 1411 B12R1.318 O=C(C=CBr)NC1CCNC1=O 240690a_100016995588_100016273825 [0,2,0,0,0,0|1,0,1]=4 1412 B12R1.318 O=C(C=CBr)NC1CCSC1=O 1626a_100000184058_100016273825 [0,2,0,0,0,0|0,0,1]=3 1413 B12R1.318 O=C(C=CBr)NC1CCSC1=O 240690a_100000184058_100016273825 [0,2,0,0,0,0|0,0,1]=3 1414 B12R1.318 O=C(C=CCl)NC1CCNC1=O 11a_100016995588_200016279998 [0,2,0,0,0,0|1,0,1]=4 1415 B12R1.318 O=C(C=CCl)NC1CCNC1=O 1626a_100016995588_200016279998 [0,2,0,0,0,0|1,0,1]=4 1416 B12R1.318 O=C(C=CCl)NC1CCNC1=O 240690a_100016995588_200016279998 [0,2,0,0,0,0|1,0,1]=4 1417 B12R1.318 O=C(C=CCl)NC1CCSC1=O 11a_100000184058_200016279998 [0,2,0,0,0,0|0,0,1]=3 1418 B12R1.318 O=C(C=CCl)NC1CCSC1=O 1626a_100000184058_200016279998 [0,2,0,0,0,0|0,0,1]=3 1419 B12R1.318 O=C(C=CCl)NC1CCSC1=O 240690a_100000184058_200016279998 [0,2,0,0,0,0|0,0,1]=3 1420 B12R1.318 O=C(C=CI)NC1CCNC1=O 1626a_100016995588_100016256311 [0,2,0,0,0,0|1,0,1]=4 1421 B12R1.318 O=C(C=CI)NC1CCSC1=O 1626a_100000184058_100016256311 [0,2,0,0,0,0|0,0,1]=3 1422 B12R1.318 O=C(CCO)NC1CCNC1=O 240690a_100016995588_100011216618 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.318 O=C(CCO)NC1CCSC1=O 240690a_100000184058_100011216618 [0,2,0,0,0,0|0,0,0]=2 1424 B12R1.532 CCC(=O)NC1CC(=O)NC1=O 11a_100102712934_100000210414 [0,2,0,0,0,0|1,0,1]=4 1425 B12R1.532 CCC(=O)NC1CC(=O)NC1=O 240690a_100102712934_100000210414 [0,2,0,0,0,0|1,0,1]=4 1426 B12R1.532 CNC(=O)NC1CC(=O)NC1=O 273464a_100102657272_100102712934 [0,2,0,0,0,0|1,0,1]=4 1427 B12R1.532 O=C1CC(C(=O)N1)NC(=O)CO 240690a_100102712934_100000210174 [0,2,0,0,0,0|1,0,1]=4 1428 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,0,1,1,0,0|2,0,0]=4 1429 B10R1.16 O=CCNC1CNC(=O)C1 2230a_100000697751_200015260668 [0,0,1,1,0,0|2,0,0]=4 1430 B10R1.16 O=CCOC1CNC(=O)C1 34a_100000690082_200009817547 [0,0,1,1,0,0|2,0,0]=4 1431 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,1,1,0,0|1,0,1]=4 1432 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,1,1,0,0|1,0,1]=4 1433 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,1,1,0,0|1,0,1]=4 1434 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,1,1,0,0|1,0,1]=4 1435 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,1,1,0,0|2,0,0]=4 1436 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,0,1,1,0,0|2,0,0]=4 1437 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,0,1,1,0,0|2,0,0]=4 1438 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,0,1,1,0,0|2,0,0]=4 1439 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,1,1,0,0|2,0,0]=4 1440 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,0,1,1,0,0|1,0,0]=3 1441 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,0,1,1,0,0|2,0,0]=4 1442 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,1,1,0,0|2,0,0]=4 1443 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,0,1,1,0,0|2,0,0]=4 1444 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,0,1,1,0,0|1,0,0]=3 1445 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,0,1,1,0,0|2,0,0]=4 1446 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,0,1,1,0,0|2,0,0]=4 1447 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,1,1,0,0|2,0,0]=4 1448 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,1,1,0,0|2,0,0]=4 1449 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,1,1,0,0|2,0,0]=4 1450 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,1,1,0,0|2,0,0]=4 1451 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,0,1,1,0,0|2,0,0]=4 1452 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,0,1,1,0,0|2,0,0]=4 1453 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,0,1,1,0,0|1,1,0]=4 1454 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,0,1,1,0,0|1,1,0]=4 1455 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,0,1,1,0,0|0,1,0]=3 1456 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,1,1,0,0|2,0,0]=4 1457 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,1,1,0,0|2,0,0]=4 1458 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,1,1,0,0|1,0,0]=3 1459 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,1,1,0,0|2,0,0]=4 1460 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,1,1,0,0|2,0,0]=4 1461 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,1,1,0,0|1,0,0]=3 1462 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,0,1,1,0,0|1,0,0]=3 1463 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,0,1,1,0,0|1,0,0]=3 1464 B10R1.442 CC(=O)NC1(CC1)C(=O)C 1458a_100012027092_200000210301 [0,0,1,1,0,0|1,0,0]=3 1465 B10R1.442 CC(=O)NC1(CC1)C(=O)N 11a_100000687655_100015343762 [0,0,1,1,0,0|1,0,0]=3 1466 B10R1.442 CC(=O)NC1(CC1)C(=O)N 240690a_100000687655_100015343762 [0,0,1,1,0,0|1,0,0]=3 1467 B10R1.442 CC(=O)NC1(CC1)C(=O)N 527a_100000687655_100103153847 [0,0,1,1,0,0|1,0,0]=3 1468 B10R1.442 CC(=O)NC1(CC1)C(=O)[13CH3] 1458a_100012027092_200025704644 [0,0,1,1,0,0|1,0,0]=3 1469 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,0,1,1,0,0|1,0,0]=3 1470 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,0,1,1,0,0|1,0,0]=3 1471 B10R1.140 CNNC(=O)[C@@H]1CC(=O)N1 22a_100016993582_100016090685 [0,0,1,1,0,0|2,0,0]=4 1472 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,0,1,1,0,0|2,0,0]=4 1473 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,0,1,1,0,0|2,0,0]=4 1474 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000183419_100000070787 [0,0,1,1,0,0|2,0,0]=4 1475 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000189765_100000210395 [0,0,1,1,0,0|2,0,0]=4 1476 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,1,1,0|1,0,1]=4 1477 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,1,0,1,0,0|1,1,0]=4 1478 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,1,0,1,0,0|1,1,0]=4 1479 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,1,0,1,0,0|1,1,0]=4 1480 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,1,0,1,0,0|1,1,0]=4 1481 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [0,0,1,0,1,0|1,0,1]=4 1482 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,0,1,0,1,0|1,0,1]=4 1483 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,0,1,0,1,0|2,0,0]=4 1484 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,0,1,0,1,0|1,0,0]=3 1485 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,0,1,0,1,0|1,0,0]=3 1486 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,0,1,0,1,0|2,0,0]=4 1487 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,0,1,0,1,0|1,0,0]=3 1488 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,0,1,0,1,0|2,0,0]=4 1489 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,0,1,0,1,0|0,1,0]=3 1490 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,0,1,0,1,0|0,1,0]=3 1491 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,0,1,0,1,0|0,1,0]=3 1492 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,0,1,0,1,0|2,0,0]=4 1493 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,0,1,0,1,0|2,0,0]=4 1494 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,0,1,0,1,0|1,0,0]=3 1495 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,0,1,0,1,0|2,0,0]=4 1496 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,0,1,0,1,0|2,0,0]=4 1497 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,1,0|1,0,1]=4 1498 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,1,0|0,1,1]=4 1499 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,1,0|1,0,1]=4 1500 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,1,0|1,0,1]=4 1501 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,1,0|2,0,0]=4 1502 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,1,0|0,1,1]=4 1503 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,1,0|0,1,1]=4 1504 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,0,1,0|1,0,1]=4 1505 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,0,1,0|1,0,1]=4 1506 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,0,1,0|1,0,1]=4 1507 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,1,0|2,0,0]=4 1508 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,1,0|1,0,1]=4 1509 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,1,0|0,1,1]=4 1510 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,1,0|1,0,1]=4 1511 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,1,0|2,0,0]=4 1512 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,1,0|0,1,1]=4 1513 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,1,0|2,0,0]=4 1514 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,0,1,0|1,0,1]=4 1515 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,0,1,0|1,0,1]=4 1516 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,0,1,0|1,1,0]=4 1517 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,0,1,0|0,0,1]=3 1518 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,0,1,0|0,0,1]=3 1519 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,0,1,0|0,0,1]=3 1520 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,0,1,0|0,0,1]=3 1521 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,0,1,0|0,1,1]=4 1522 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,0,1,0|0,1,1]=4 1523 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,0,1,0|0,1,1]=4 1524 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,0,1,0|0,1,1]=4 1525 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,0,1,0|0,0,1]=3 1526 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,0,1,0|0,0,1]=3 1527 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,0,1,0|0,0,1]=3 1528 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,0,1,0|0,0,1]=3 1529 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,0,1,0|1,0,1]=4 1530 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,0,1,0|1,0,1]=4 1531 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,0,1,0|1,0,1]=4 1532 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,0,1,0|1,0,1]=4 1533 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,0,2,0|0,0,0]=2 1534 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,0,2,0|2,0,0]=4 1535 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,0,2,0|1,0,1]=4 1536 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,0,2,0|1,0,1]=4 1537 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,0,2,0|1,0,1]=4 1538 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,0,2,0|1,0,1]=4 1539 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,0,2,0|1,0,1]=4 1540 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,0,2,0|1,0,1]=4 1541 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,0,1,0,0,1|1,1,0]=4 1542 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,0,1,0,0,1|1,1,0]=4 1543 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,0,1,0,0,1|0,1,0]=3 1544 B10R0.84 C=C(C)CNC(CC)C(=O)N 2230a_100000733705_100000748629 [0,0,1,0,0,1|2,0,0]=4 1545 B10R0.84 C=C(C)CNC(CC)C(=O)N 34a_100000733705_100000748629 [0,0,1,0,0,1|2,0,0]=4 1546 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,1,0,0,1|1,1,0]=4 1547 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,0,1,0,0,1|2,0,0]=4 1548 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,0,1,0,0,1|2,0,0]=4 1549 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,0,1,0,0,1|2,0,0]=4 1550 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,0,1,0,0,1|2,0,0]=4 1551 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,0,1,0,0,1|2,0,0]=4 1552 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,0,1,0,0,1|2,0,0]=4 1553 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,0,1,0,0,1|1,1,0]=4 1554 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,0,1,0,0,1|1,1,0]=4 1555 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,0,0,1|1,0,1]=4 1556 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,0,0,1|1,0,1]=4 1557 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,0,0,1|1,0,1]=4 1558 B12R1.125 C=C(C)CNC1CCCNC1=O 2230a_100000747585_100000748629 [0,0,0,0,0,2|2,0,0]=4 1559 B12R1.125 C=C(C)CNC1CCCNC1=O 34a_100000747585_100000748629 [0,0,0,0,0,2|2,0,0]=4 1560 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,0,0,0,0,2|2,0,0]=4 1561 B12R1.125 CC(=O)COC1CCCNC1=O 34a_100000211253_100000687798 [0,0,0,0,0,2|2,0,0]=4 1562 B12R1.125 CC(=O)COC1COCCC1=O 34a_100000211253_100012180262 [0,0,0,0,0,2|2,0,0]=4 1563 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000711301_100000687798 [0,0,0,0,0,2|2,0,0]=4 1564 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000747585_100000747473 [0,0,0,0,0,2|2,0,0]=4 1565 B12R1.125 NC(=O)CNC1CCCNC1=O 34a_100000747585_100000187820 [0,0,0,0,0,2|2,0,0]=4 1566 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,0,0,0,2|2,0,0]=4 1567 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,0,0,0,0,2|2,0,0]=4 1568 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,0,0,0,0,2|2,0,0]=4 1569 B12R1.125 O=C([O-])CNC1CCCNC1=O 34a_100000747585_100020667443 [0,0,0,0,0,2|2,0,0]=4 1570 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,0,0,0,0,2|1,0,0]=3 1571 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,0,0,0,0,2|1,0,0]=3 1572 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,0,0,0,0,2|1,0,0]=3 1573 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,0,0,0,0,2|1,0,0]=3 1574 B12R1.130 C=C(C)CCNC1CCNC1=O 2230a_100016995588_100000730704 [0,0,0,0,0,2|2,0,0]=4 1575 B12R1.130 C=C(C)CCNC1CCNC1=O 34a_100016995588_100000730704 [0,0,0,0,0,2|2,0,0]=4 1576 B12R1.130 CC(=CCNC1CCCC1=O)C 34a_100000718196_100000709159 [0,0,0,0,0,2|2,0,0]=4 1577 B12R1.130 CC(=CCNC1CCNC1=O)C 2230a_100016995588_100000761012 [0,0,0,0,0,2|2,0,0]=4 1578 B12R1.130 CC(=CCNC1CCNC1=O)C 34a_100016995588_100000761012 [0,0,0,0,0,2|2,0,0]=4 1579 B12R1.130 CC(=CCNC1CCOC1=O)C 34a_100000718196_100000211211 [0,0,0,0,0,2|1,1,0]=4 1580 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,0,0,2|2,0,0]=4 1581 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,0,0,2|2,0,0]=4 1582 B12R1.130 CC(=O)CCOC1CCOC1=O 34a_100000759926_100000211211 [0,0,0,0,0,2|1,1,0]=4 1583 B12R1.130 CC(=O)CCOC1CCOC1=O 7a_100000759926_100000211211 [0,0,0,0,0,2|1,1,0]=4 1584 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,0,0,0,0,2|2,0,0]=4 1585 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,0,0,0,0,2|2,0,0]=4 1586 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000053229_100000211211 [0,0,0,0,0,2|1,1,0]=4 1587 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000211211_100000053229 [0,0,0,0,0,2|1,1,0]=4 1588 B12R1.130 CC(=O)NCCN1CCCC1=O 11a_100011200922_100015343762 [0,0,0,0,0,2|2,0,0]=4 1589 B12R1.130 CC(=O)NCCN1CCCC1=O 1626a_100011200922_100015343762 [0,0,0,0,0,2|2,0,0]=4 1590 B12R1.130 CC(=O)NCCN1CCCC1=O 240690a_100011200922_100015343762 [0,0,0,0,0,2|2,0,0]=4 1591 B12R1.130 CC(=O)NCCN1CCCC1=O 527a_100011200922_100103153847 [0,0,0,0,0,2|2,0,0]=4 1592 B12R1.130 CC(=O)NCCN1CCNC1=O 11a_100011207550_100015343762 [0,0,0,0,0,2|2,0,0]=4 1593 B12R1.130 CC(=O)NCCN1CCNC1=O 1626a_100011207550_100015343762 [0,0,0,0,0,2|2,0,0]=4 1594 B12R1.130 CC(=O)NCCN1CCNC1=O 240690a_100011207550_100015343762 [0,0,0,0,0,2|2,0,0]=4 1595 B12R1.130 CC(=O)NCCN1CCNC1=O 527a_100011207550_100103153847 [0,0,0,0,0,2|2,0,0]=4 1596 B12R1.130 CC(=O)OCNC1CCNC1=O 34a_100016995588_100009813279 [0,0,0,0,0,2|1,0,0]=3 1597 B12R1.130 CC(=O)OCN[C@@H]1CONC1=O 34a_100000765999_100009813279 [0,0,0,0,0,2|2,0,0]=4 1598 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,0,0,0,0,2|2,0,0]=4 1599 B12R1.130 CC(=O)OCO[C@H]1CCNC1=O 34a_100000688343_100009813279 [0,0,0,0,0,2|2,0,0]=4 1600 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,0,0,0,0,2|2,0,0]=4 1601 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,0,0,0,0,2|2,0,0]=4 1602 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000076356_100000211211 [0,0,0,0,0,2|1,1,0]=4 1603 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000211211_100000076356 [0,0,0,0,0,2|1,1,0]=4 1604 B12R1.130 NC(=O)CCNC1CCNC1=O 2230a_100016995588_100000744528 [0,0,0,0,0,2|2,0,0]=4 1605 B12R1.130 NC(=O)CCNC1CCNC1=O 34a_100016995588_100000731001 [0,0,0,0,0,2|2,0,0]=4 1606 B12R1.130 O=C(O)CONC1CCCC1=O 269956a_100000106656_100000211823 [0,0,0,0,0,2|2,0,0]=4 1607 B12R1.226 C=C(C)CNC1CCNC(=O)C1 2230a_100016994916_100000748629 [0,0,0,0,0,2|2,0,0]=4 1608 B12R1.226 C=C(C)CNC1CCNC(=O)C1 34a_100016994916_100000748629 [0,0,0,0,0,2|2,0,0]=4 1609 B12R1.226 CC(=O)NN=C1CCNC(=O)C1 4a_100000189765_100011999401 [0,0,0,0,0,2|1,0,1]=4 1610 B12R1.226 NC(=O)CNC1CCNC(=O)C1 2230a_100016994916_100000747473 [0,0,0,0,0,2|2,0,0]=4 1611 B12R1.226 NC(=O)CNC1CCNC(=O)C1 34a_100016994916_100000187820 [0,0,0,0,0,2|2,0,0]=4 1612 B12R1.226 O=C([O-])CNC1CCNC(=O)C1 34a_100016994916_100020667443 [0,0,0,0,0,2|2,0,0]=4