0 B11R1.3 C#CC1CCN(CC1)C(=O)C 11a_100016991398_100015343762 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 C#CC1CCN(CC1)C(=O)C 1626a_100016991398_100015343762 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 C#CC1CCN(CC1)C(=O)C 240690a_100016991398_100015343762 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C#CC1CCN(CC1)C(=O)C 527a_100016991398_100103153847 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 CC(=O)N1CCC(CC1)C#N 11a_100000747632_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CC(=O)N1CCC(CC1)C#N 1626a_100000747632_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.3 CC(=O)N1CCC(CC1)C#N 240690a_100000747632_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.3 CC(=O)N1CCC(CC1)C#N 527a_100000747632_100103153847 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 CC(=O)N1CCC(CC1)CF 11a_100015203933_100015343762 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 CC(=O)N1CCC(CC1)CF 1626a_100015203933_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CC(=O)N1CCC(CC1)CF 240690a_100015203933_100015343762 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CC(=O)N1CCC(CC1)CF 527a_100015203933_100103153847 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 CC(=O)N1CCC(CC1)CO 240690a_100000738675_100015343762 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.3 CC(=O)N1CCC(CC1)CO 527a_100000738675_100103153847 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 CC(=O)N1CCC(CC1)N[13CH3] 2230a_100000203771_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 CC(=O)N1CCC(CC1)O[13CH3] 7a_100000194330_200025704644 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 CC(=O)N1CCC(CC1)S[13CH3] 62a_200025704644_100011863393 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.3 CC(=O)N1CCN(CC1)CF 269982a_100000210354_100015361967 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.3 CC(O)C1CCN(CC1)CF 269982a_100011728446_100015361967 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.3 CC(O)C1CCN(CC1)CF 34a_100011728446_100015361967 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.3 CCC1CCC(CC1)N(C)C 2230a_100000207529_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 CCC1CCC(CC1)N(C)C 269982a_100000207529_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 CCC1CCC(CC1)N(C)C 270004a_100102631434_100000210631 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 CCC1CCC(CC1)N(C)C 34a_100000207529_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 CCC1CCC(CC1)N(C)[13CH3] 2230a_100000207529_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 CCC1CCC(CC1)N(C)[13CH3] 269982a_100000207529_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.3 CCC1CCC(CC1)N(C)[13CH3] 34a_100000207529_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.3 CCC1CCN(CC1)C(=O)C 11a_100000754474_100015343762 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 CCC1CCN(CC1)C(=O)C 1626a_100000754474_100015343762 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.3 CCC1CCN(CC1)C(=O)C 240690a_100000754474_100015343762 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.3 CCC1CCN(CC1)C(=O)C 527a_100000754474_100103153847 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.3 CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210202 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.3 CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000204670 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.3 CCN1CCC(CC1)C(=O)N 34a_100000210938_100000210202 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 CCN1CCC(CC1)C(=S)N 2230a_200011935123_100000210202 [0,0,0,0,0,0|3,1,0]=4 40 B11R1.3 CCN1CCC(CC1)C(=S)N 269982a_200011935123_100000204670 [0,0,0,0,0,0|3,1,0]=4 41 B11R1.3 CCN1CCC(CC1)C(C)O 2230a_100011728446_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.3 CCN1CCC(CC1)C(C)O 269982a_100011728446_100000204670 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 CCN1CCC(CC1)C(C)O 34a_100011728446_100000210202 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.3 CCN1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.3 CCN1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_100000204670 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.3 CCN1CCN(CC1)C(=O)C 11a_100000210033_100015343762 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.3 CCN1CCN(CC1)C(=O)C 2230a_100000210354_100000210202 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.3 CCN1CCN(CC1)C(=O)C 240690a_100000210033_100015343762 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.3 CCN1CCN(CC1)C(=O)C 269982a_100000210354_100000204670 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.3 CCN1CCN(CC1)C(=O)C 527a_100000210033_100103153847 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.3 CCN1CCN(CC1)C(=O)N 269982a_100000737871_100000204670 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,0,0,0,0,0|2,0,0]=2 53 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.3 CN(C)C1CCC(CC1)CO 270004a_100102631434_100000062911 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.3 CN(C)[C@H]1CC[C@@H](CC1)CO 2230a_100009831571_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.3 CN(C)[C@H]1CC[C@@H](CC1)CO 269982a_100009831571_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.3 CN(C)[C@H]1CC[C@@H](CC1)CO 34a_100009831571_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.3 CN([13CH3])[C@H]1CC[C@@H](CC1)CO 2230a_100009831571_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.3 CN([13CH3])[C@H]1CC[C@@H](CC1)CO 269982a_100009831571_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.3 CN([13CH3])[C@H]1CC[C@@H](CC1)CO 34a_100009831571_200025704644 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.3 CNC1CCN(CC1)C(=O)C 2230a_100000203771_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.3 CNC1CCN(CC1)C(=O)C 270004a_106832991635_100000162417 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.3 COC1CCN(CC1)C(=O)C 11a_100000234800_100015343762 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.3 COC1CCN(CC1)C(=O)C 1626a_100000234800_100015343762 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.3 COC1CCN(CC1)C(=O)C 240690a_100000234800_100015343762 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.3 COC1CCN(CC1)C(=O)C 527a_100000234800_100103153847 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.3 COC1CCN(CC1)C(=O)C 7a_100000194330_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.3 CSC1CCN(CC1)C(=O)C 11a_100015202541_100015343762 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.3 CSC1CCN(CC1)C(=O)C 1626a_100015202541_100015343762 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.3 CSC1CCN(CC1)C(=O)C 240690a_100015202541_100015343762 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.3 CSC1CCN(CC1)C(=O)C 527a_100015202541_100103153847 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.3 CSC1CCN(CC1)C(=O)C 62a_200000210301_100011863393 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.3 NC(=O)C1CCN(CC1)CF 269982a_100000210938_100015361967 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.3 NC(=O)C1CCN(CC1)CF 34a_100000210938_100015361967 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.3 NC(=O)N1CCN(CC1)CF 269982a_100000737871_100015361967 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.3 NC(=S)C1CCN(CC1)CF 269982a_200011935123_100015361967 [0,0,0,0,0,0|3,1,0]=4 81 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.3 O=[N+]([O-])C1CCN(CC1)CF 269982a_100138415460_100015361967 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,0,0,0,0,0|1,0,2]=3 85 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.3 CCC1CCC(CC1)NC 2230a_100011194317_200000210301 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.3 CCC1CCC(CC1)NC 270004a_106832991635_100000210631 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.3 CCC1CCC(CC1)NC 34a_100011194317_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.3 CCC1CCC(CC1)N[13CH3] 2230a_100011194317_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.3 CCC1CCC(CC1)N[13CH3] 34a_100011194317_200025704644 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.3 CCN1CCC(CC1)CO 2230a_100000738675_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.3 CCN1CCC(CC1)CO 269982a_100000738675_100000204670 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.3 CCN1CCC(CC1)CO 34a_100000738675_100000210202 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.3 CNC1CCC(CC1)CO 270004a_106832991635_100000062911 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.3 CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200000210301 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.3 OCC1CCN(CC1)CF 269982a_100000738675_100015361967 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.3 OCC1CCN(CC1)CF 34a_100000738675_100015361967 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.3 [13CH3]N[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [1,0,0,0,0,0|1,0,2]=4 105 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [1,0,0,0,0,0|1,0,2]=4 106 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,0,0,0|1,0,0]=2 107 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [1,0,0,0,0,0|1,0,0]=2 138 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 CN1CCC(CC1)C(=S)N 2230a_200011935123_200000210301 [1,0,0,0,0,0|2,1,0]=4 140 B10R1.13 CN1CCC(CC1)C(=S)N 269982a_200011935123_200000210301 [1,0,0,0,0,0|2,1,0]=4 141 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.13 CN1CCN(CC1)C(=O)N 269982a_100000737871_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 2230a_200011935123_200025704644 [1,0,0,0,0,0|2,1,0]=4 151 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 269982a_200011935123_200025704644 [1,0,0,0,0,0|2,1,0]=4 152 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.13 [13CH3]N1CCN(CC1)C(=O)N 269982a_100000737871_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.5 C#CC1CCN(CC1)C(=O)CO 240690a_100016991398_100000210174 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.5 C#CC1CCN(CC1)C(=O)CO 527a_100016991398_100000210174 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.5 C=CC(=O)N1CCC(CC1)CC 1626a_100000754474_100000185746 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.5 C=CC(=O)N1CCC(CC1)CC 240690a_100000754474_200121576911 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.5 C=CC(=O)N1CCC(CC1)CF 1626a_100015203933_100000185746 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.5 C=CC(=O)N1CCC(CC1)CF 240690a_100015203933_200121576911 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.5 C=CC(=O)N1CCC(CC1)CO 240690a_100000738675_200121576911 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.5 CCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000210202 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.5 CCC(=O)C1CCC(CC1)OC 1458a_100011215563_100000210202 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.5 CCC(=O)C1CCN(CC1)CC 1458a_100015186486_100000210202 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.5 CCC(=O)N1CCC(CC1)CC 11a_100000754474_100000210414 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.5 CCC(=O)N1CCC(CC1)CC 1626a_100000754474_100000210414 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.5 CCC(=O)N1CCC(CC1)CC 240690a_100000754474_100000210414 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.5 CCC(=O)N1CCC(CC1)CC 527a_100000754474_100000210414 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.5 CCC(=O)N1CCC(CC1)CF 11a_100015203933_100000210414 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.5 CCC(=O)N1CCC(CC1)CF 1626a_100015203933_100000210414 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.5 CCC(=O)N1CCC(CC1)CF 240690a_100015203933_100000210414 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.5 CCC(=O)N1CCC(CC1)CF 527a_100015203933_100000210414 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.5 CCC(=O)N1CCC(CC1)CO 240690a_100000738675_100000210414 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.5 CCC(=O)N1CCC(CC1)CO 527a_100000738675_100000210414 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.5 CCC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_100000210202 [0,1,0,0,0,0|1,0,2]=4 176 B12R1.5 CCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210202 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.5 CCC1CCN(CC1)C(=O)CO 240690a_100000754474_100000210174 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.5 CCC1CCN(CC1)C(=O)CO 527a_100000754474_100000210174 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.5 CCC1CCN(CC1)C(=O)NC 2708a_100102657272_100000754474 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.5 CCC1CCN(CC1)C(=O)NC 273464a_100102657272_100000754474 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.5 CCN1CCC(CC1)C(=O)CF 1458a_100015186486_100015361967 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.5 CCN1CCC(CC1)C(=O)NC 11a_106832991635_100015186486 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.5 CCN1CCC(CC1)C(=O)NC 2230a_100000746005_100000210202 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.5 CCN1CCC(CC1)C(=O)NC 240690a_100102657272_100015186486 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.5 CCN1CCC(CC1)C(=O)NC 269982a_100000746005_100000204670 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.5 CCN1CCC(CC1)C(=O)NC 34a_100000746005_100000210202 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.5 CCN1CCC(CC1)C(=O)NC 527a_100102657272_100015186486 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.5 CCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000210202 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.5 CCN1CCC(CC1)C(=O)OC 269982a_100000212072_100000204670 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.5 CCN1CCN(CC1)C(=O)CO 240690a_100000210033_100000210174 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.5 CCN1CCN(CC1)C(=O)CO 527a_100000210033_100000210174 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.5 CCN1CCN(CC1)C(=O)OC 2230a_100000742817_100000210202 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.5 CCN1CCN(CC1)C(=O)OC 269982a_100000742817_100000204670 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100000709782_100015361967 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 11a_106832991635_100000709782 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 1626a_100102657272_100000709782 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 240690a_100102657272_100000709782 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 527a_100102657272_100000709782 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.5 CNC(=O)C1CCC(CC1)CO 1626a_100102657272_100011217856 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.5 CNC(=O)C1CCC(CC1)CO 240690a_100102657272_100011217856 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.5 CNC(=O)C1CCC(CC1)NC 2230a_200011212063_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.5 CNC(=O)C1CCC(CC1)NC 34a_200011212063_200000210301 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.5 CNC(=O)C1CCC(CC1)N[13CH3] 2230a_200011212063_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.5 CNC(=O)C1CCC(CC1)N[13CH3] 34a_200011212063_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.5 CNC(=O)C1CCC(CC1)OC 11a_106832991635_100011215563 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.5 CNC(=O)C1CCC(CC1)OC 1626a_100102657272_100011215563 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.5 CNC(=O)C1CCC(CC1)OC 240690a_100102657272_100011215563 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.5 CNC(=O)C1CCC(CC1)OC 527a_100102657272_100011215563 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.5 CNC(=O)C1CCN(CC1)CF 269982a_100000746005_100015361967 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 CNC(=O)C1CCN(CC1)CF 34a_100000746005_100015361967 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.5 CNC(=O)N1CCC(CC1)CF 2708a_100102657272_100015203933 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.5 CNC(=O)N1CCC(CC1)CF 273464a_100102657272_100015203933 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.5 CNC(=O)N1CCC(CC1)CO 2708a_100102657272_100000738675 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.5 CNC(=O)N1CCC(CC1)CO 273464a_100102657272_100000738675 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)C#N 11a_106832991635_100132307125 [0,1,0,0,0,0|1,0,2]=4 216 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)C#N 1626a_100102657272_100132307125 [0,1,0,0,0,0|1,0,2]=4 217 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)C#N 240690a_100102657272_100132307125 [0,1,0,0,0,0|1,0,2]=4 218 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)C#N 527a_100102657272_100132307125 [0,1,0,0,0,0|1,0,2]=4 219 B12R1.5 CNC1CCC(CC1)C(=O)OC 270004a_106832991635_100000760125 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.5 CNC1CCN(CC1)C(=O)OC 270004a_106832991635_100000236169 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.5 COC(=O)C1CCN(CC1)CF 269982a_100000212072_100015361967 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.5 COC(=O)N1CCN(CC1)CF 269982a_100000742817_100015361967 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)OC 34a_100015271307_200000210301 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)OC 7a_100015271307_200000210301 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)O[13CH3] 34a_100015271307_200025704644 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)O[13CH3] 7a_100015271307_200025704644 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.5 COC1CCC(CC1)C(=O)CF 1458a_100011215563_100015361967 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.5 COC1CCN(CC1)C(=O)CO 240690a_100000234800_100000210174 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.5 COC1CCN(CC1)C(=O)CO 527a_100000234800_100000210174 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.5 CSC1CCN(CC1)C(=O)CO 240690a_100015202541_100000210174 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.5 CSC1CCN(CC1)C(=O)CO 527a_100015202541_100000210174 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.5 N#CC1CCN(CC1)C(=O)CO 240690a_100000747632_100000210174 [0,1,0,0,0,0|1,0,2]=4 233 B12R1.5 N#CC1CCN(CC1)C(=O)CO 527a_100000747632_100000210174 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.5 N#C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100132307125_100015361967 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.5 O=C(CF)C1CCC(CC1)CO 1458a_100011217856_100015361967 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.5 O=C(CO)N1CCC(CC1)CF 240690a_100015203933_100000210174 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.5 O=C(CO)N1CCC(CC1)CF 527a_100015203933_100000210174 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.5 O=C(CO)N1CCC(CC1)CO 240690a_100000738675_100000210174 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.5 O=C(CO)N1CCC(CC1)CO 527a_100000738675_100000210174 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.113 C#CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000038162 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.113 C#CCN1CCC(CC1)C(=O)N 34a_100000210938_100000184674 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.113 C#CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000184674 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.113 C=CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210623 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.113 C=CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000210623 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.113 C=CCN1CCC(CC1)C(=O)N 34a_100000210938_100015514636 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.113 C=CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210623 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.113 CC(=O)N1CCC(CC1)CC#N 11a_100000697787_100015343762 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.113 CC(=O)N1CCC(CC1)CC#N 1626a_100000697787_100015343762 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.113 CC(=O)N1CCC(CC1)CC#N 240690a_100000697787_100015343762 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.113 CC(=O)N1CCC(CC1)CC#N 527a_100000697787_100103153847 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.113 CC(=O)N1CCC(CC1)CCO 240690a_100015190746_100015343762 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.113 CC(=O)N1CCC(CC1)CCO 527a_100015190746_100103153847 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.113 CC(=O)N1CCC(CC1)CO[13CH3] 34a_100011380542_200025704644 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.113 CC(=O)N1CCC(CC1)CO[13CH3] 7a_100011380542_200025704644 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.113 CC(=O)N1CCC(CC1)OCF 7a_100000194330_100015361967 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.113 CC(=O)N1CCC(CC1)SCF 62a_100015361967_100011863393 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.113 CCCC1CCN(CC1)C(=O)C 1626a_100015355601_100015343762 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.113 CCCC1CCN(CC1)C(=O)C 240690a_100015355601_100015343762 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.113 CCCC1CCN(CC1)C(=O)C 527a_100015355601_100103153847 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.113 CCCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210303 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.113 CCCN1CCC(CC1)C(=O)N 269982a_100000210938_100000210303 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.113 CCCN1CCC(CC1)C(=O)N 34a_100000210938_100000210303 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.113 CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210207 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009815004_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815004_200025704644 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.113 CCNC1CCC(CC1)C(=O)N 270004a_100015525214_200000102705 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.113 CCNC1CCN(CC1)C(=O)C 2230a_100000203771_100000210202 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.113 CCNC1CCN(CC1)C(=O)C 270004a_100015525214_100000162417 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.113 CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210202 [0,1,0,0,0,0|1,0,0]=2 270 B12R1.113 CCOC1CCN(CC1)C(=O)C 11a_100016990603_100015343762 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.113 CCOC1CCN(CC1)C(=O)C 1626a_100016990603_100015343762 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.113 CCOC1CCN(CC1)C(=O)C 240690a_100016990603_100015343762 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.113 CCOC1CCN(CC1)C(=O)C 527a_100016990603_100103153847 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.113 CCOC1CCN(CC1)C(=O)C 7a_100000194330_100000210202 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.113 CCSC1CCN(CC1)C(=O)C 62a_100000210202_100011863393 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.113 CNCC1CCN(CC1)C(=O)C 269862a_106832991636_100000062618 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.113 CNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_200000210301 [0,1,0,0,0,0|0,0,0]=1 278 B12R1.113 COCC1CCN(CC1)C(=O)C 11a_100000755097_100015343762 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.113 COCC1CCN(CC1)C(=O)C 1626a_100000755097_100015343762 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.113 COCC1CCN(CC1)C(=O)C 240690a_100000755097_100015343762 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.113 COCC1CCN(CC1)C(=O)C 34a_100011380542_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.113 COCC1CCN(CC1)C(=O)C 527a_100000755097_100103153847 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.113 COCC1CCN(CC1)C(=O)C 7a_100011380542_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.113 COCN1CCC(CC1)C(=O)N 2230a_100000210938_100000766300 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.113 COCN1CCC(CC1)C(=O)N 269982a_100000210938_100000766300 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.113 COCN1CCC(CC1)C(=O)O 269956a_100000210459_100000766300 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.113 CSCC1CCN(CC1)C(=O)C 11a_100015187637_100015343762 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.113 CSCC1CCN(CC1)C(=O)C 1626a_100015187637_100015343762 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.113 CSCC1CCN(CC1)C(=O)C 240690a_100015187637_100015343762 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.113 CSCC1CCN(CC1)C(=O)C 527a_100015187637_100103153847 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.113 CSCN1CCC(CC1)C(=O)N 2230a_100000210938_100011218213 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.113 CSCN1CCC(CC1)C(=O)N 269982a_100000210938_100011218213 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.113 CSCN1CCC(CC1)C(=O)N 34a_100000210938_100011218213 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.113 CSCN1CCC(CC1)C(=O)O 269956a_100000210459_100011218213 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.113 N#CCN1CCC(CC1)C(=O)N 2230a_100000210938_100011215382 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.113 N#CCN1CCC(CC1)C(=O)N 269982a_100000210938_100011214920 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.113 N#CCN1CCC(CC1)C(=O)O 269956a_100000210459_100011215382 [0,1,0,0,0,0|1,0,1]=3 298 B12R1.113 NC(=O)C1CCN(CC1)CC=O 2230a_100000210938_200015260668 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.113 NC(=O)C1CCN(CC1)CC=O 269982a_100000210938_200015260668 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.113 NC(=O)C1CCN(CC1)CC=O 34a_100000210938_200009817547 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.113 NC(=O)C1CCN(CC1)CCF 2230a_100000210938_100011217306 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.113 NC(=O)C1CCN(CC1)CCF 269982a_100000210938_100011217306 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.113 NC(=O)C1CCN(CC1)CCF 34a_100000210938_100011217306 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.113 NC(=O)C1CCN(CC1)CCO 2230a_100000210938_100000211926 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.113 NC(=O)C1CCN(CC1)CCO 269982a_100000210938_100000211926 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.113 NC(=O)C1CCN(CC1)CCO 34a_100000210938_100000211926 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.113 O=C(O)C1CCN(CC1)CCF 269956a_100000210459_100011217306 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.113 O=C(O)C1CCN(CC1)CCO 269956a_100000210459_100000211926 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.113 O=C(O)[C@H]1CC[C@H](CC1)NCF 269956a_100009815960_100015361967 [0,1,0,0,0,0|1,0,0]=2 310 B12R1.113 O=CCN1CCC(CC1)C(=O)O 269956a_100000210459_200015260668 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.113 [13CH3]NC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_200025704644 [0,1,0,0,0,0|0,0,0]=1 312 B12R1.256 CC(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200000210301 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.256 CC(=O)C1CCN(CC1)C(C)C 1458a_100015186490_200000210301 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 11a_100000210938_100015343762 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 1626a_100000210938_100015343762 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 240690a_100000210938_100015343762 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 527a_100000210938_100103153847 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.256 CC(=O)N1CCC(CC1)C(=S)N 11a_200011935123_100015343762 [0,1,0,0,0,0|2,0,1]=4 319 B12R1.256 CC(=O)N1CCC(CC1)C(=S)N 1626a_200011935123_100015343762 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.256 CC(=O)N1CCC(CC1)C(=S)N 240690a_200011935123_100015343762 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.256 CC(=O)N1CCC(CC1)C(=S)N 527a_200011935123_100103153847 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.256 CC(=O)N1CCC(CC1)C(C)C 11a_100000762885_100015343762 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.256 CC(=O)N1CCC(CC1)C(C)C 1626a_100000762885_100015343762 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.256 CC(=O)N1CCC(CC1)C(C)C 240690a_100000762885_100015343762 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.256 CC(=O)N1CCC(CC1)C(C)C 527a_100000762885_100103153847 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.256 CC(=O)N1CCC(CC1)C(C)O 11a_100011728446_100015343762 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.256 CC(=O)N1CCC(CC1)C(C)O 240690a_100011728446_100015343762 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.256 CC(=O)N1CCC(CC1)C(C)O 527a_100011728446_100103153847 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.256 CC(=O)N1CCC(CC1)C(F)F 11a_100000689141_100015343762 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.256 CC(=O)N1CCC(CC1)C(F)F 1626a_100000689141_100015343762 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.256 CC(=O)N1CCC(CC1)C(F)F 240690a_100000689141_100015343762 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.256 CC(=O)N1CCC(CC1)C(F)F 527a_100000689141_100103153847 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.256 CC(=O)[C@H]1CC[C@@H](CC1)C(C)C 1458a_100009816688_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.256 CC(C)N1CCC(CC1)C(=O)N 2230a_100000210938_100000210206 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.256 CC(C)N1CCC(CC1)C(=O)N 269982a_100000210938_100000210206 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.256 CC(C)N1CCC(CC1)C(=O)N 34a_100000210938_100000210206 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.256 CC(C)N1CCC(CC1)C(=O)O 269956a_100000210459_100000210206 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.256 CC(C)N1CCC(CC1)C(=O)[13CH3] 1458a_100015186490_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.256 CC(C)[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009816688_200025704644 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.256 CN(C)C1CCC(CC1)C(=O)N 270004a_100102631434_200000102705 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.256 [13CH3]C(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200025704644 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.529 CC1(CCN(CC1)CF)C(=O)O 269956a_100000699452_100015361967 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.529 CCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000210202 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.529 CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000210202 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.529 O=C(O)C1(CCN(CC1)CF)F 269956a_100020586884_100015361967 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.3825 CC(=O)N1CCC(CC1)(C)CO 240690a_100000697876_100015343762 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.3825 CC(=O)N1CCC(CC1)(C)CO 527a_100000697876_100103153847 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.3825 CC(=O)N1CCC(CC1)(F)CO 240690a_100016990393_100015343762 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.3825 CC(=O)N1CCC(CC1)(F)CO 527a_100016990393_100103153847 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.3825 CC(=O)N1CCC(CC1)(O)CO 240690a_100012017390_100015343762 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.3825 CC(=O)N1CCC(CC1)(O)CO 527a_100012017390_100103153847 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.3825 CCC1(CCN(CC1)C(=O)C)O 11a_100000763344_100015343762 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.3825 CCC1(CCN(CC1)C(=O)C)O 1626a_100000763344_100015343762 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.3825 CCC1(CCN(CC1)C(=O)C)O 240690a_100000763344_100015343762 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.3825 CCC1(CCN(CC1)C(=O)C)O 527a_100000763344_100103153847 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [0,0,1,0,0,0|3,0,0]=4 357 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [0,0,1,0,0,0|3,0,0]=4 358 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,0,1,0,0,0|2,0,0]=3 359 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,0,1,0,0,0|3,0,0]=4 360 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,0,1,0,0,0|3,0,0]=4 361 B10R0.77 CCC(CC)CSCC(=O)N 62a_100000747473_100011215472 [0,0,1,0,0,0|3,0,0]=4 362 B10R0.77 CCC(CC)CSCC(=O)N 62a_100011215472_100000747473 [0,0,1,0,0,0|3,0,0]=4 363 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100011215472_100020667443 [0,0,1,0,0,0|2,0,1]=4 364 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100020667443_100011215472 [0,0,1,0,0,0|2,0,1]=4 365 B10R0.77 CCC(CC)NCCC(=O)N 2230a_100000199018_100000744528 [0,0,1,0,0,0|3,0,0]=4 366 B10R0.77 CCC(CC)NOCC(=O)O 269956a_100000106656_100000210505 [0,0,1,0,0,0|3,0,0]=4 367 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,0,1,0,0,0|3,0,0]=4 368 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,0,1,0,0,0|3,0,0]=4 369 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000688536_100000744528 [0,0,1,0,0,0|3,0,0]=4 370 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000757172_100000210505 [0,0,1,0,0,0|3,0,0]=4 371 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,0,1,0,0,0|3,0,0]=4 372 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,0,1,0,0,0|3,0,0]=4 373 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000210505_100000744528 [0,0,1,0,0,0|3,0,0]=4 374 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000744528_100000210505 [0,0,1,0,0,0|3,0,0]=4 375 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,0,1,0,0,0|3,0,0]=4 376 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,0,1,0,0,0|3,0,0]=4 377 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,0,1,0,0,0|3,0,0]=4 378 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,0,1,0,0,0|3,0,0]=4 379 B10R0.77 CCN(CC)CCCC(=O)N 269956a_100000042499_100102525003 [0,0,1,0,0,0|3,0,0]=4 380 B10R0.77 CCN(CC)CCCC(=O)N 269982a_100000724800_100102525003 [0,0,1,0,0,0|3,0,0]=4 381 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,0,1,0,0,0|3,0,0]=4 382 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [0,0,1,0,0,0|3,0,0]=4 383 B10R0.77 NCC(CN)OCCC(=O)N 34a_100000031598_100000731001 [0,0,1,0,0,0|3,0,0]=4 384 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,0,1,0,0,0|2,0,1]=4 385 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,0,1,0,0,0|2,0,1]=4 386 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,0,1,0,0,0|3,0,0]=4 387 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,0,1,0,0,0|3,0,0]=4 388 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,0,1,0,0,0|3,0,0]=4 389 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,0,1,0,0,0|3,0,0]=4 390 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,0,1,0,0,0|3,0,0]=4 391 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,0,1,0,0,0|1,0,2]=4 392 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,0,1,0,0,0|2,0,0]=3 393 B10R0.82 CC(CN)COC(F)C(=O)N 34a_100000744482_100009813875 [0,0,1,0,0,0|3,0,0]=4 394 B10R0.82 CC(CN)COC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,0,1,0,0,0|2,0,1]=4 395 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,0,1,0,0,0|2,0,0]=3 396 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,0,1,0,0,0|3,0,0]=4 397 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,0,1,0,0,0|3,0,0]=4 398 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,0,1,0,0,0|3,0,0]=4 399 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,0,1,0,0,0|3,0,0]=4 400 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,0,1,0,0,0|3,0,0]=4 401 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,0,1,0,0,0|3,0,0]=4 402 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,0,1,0,0,0|2,0,0]=3 403 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,0,1,0,0,0|3,0,0]=4 404 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,0,1,0,0,0|3,0,0]=4 405 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,0,1,0,0,0|3,0,0]=4 406 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,0,1,0,0,0|3,0,0]=4 407 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,0,1,0,0,0|2,0,1]=4 408 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,0,1,0,0,0|3,0,0]=4 409 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,0,1,0,0,0|3,0,0]=4 410 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,0,1,0,0,0|3,0,0]=4 411 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,0,1,0,0,0|3,0,0]=4 412 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,0,1,0,0,0|3,0,0]=4 413 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,0,1,0,0,0|3,0,0]=4 414 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,0,1,0,0,0|2,0,0]=3 415 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,0,1,0,0,0|3,0,0]=4 416 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,0,1,0,0,0|3,0,0]=4 417 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,0,1,0,0,0|3,0,0]=4 418 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,0,1,0,0,0|3,0,0]=4 419 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,0,1,0,0,0|2,0,0]=3 420 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,0,1,0,0,0|3,0,0]=4 421 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,0,1,0,0,0|3,0,0]=4 422 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,0,1,0,0,0|3,0,0]=4 423 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,0,1,0,0,0|3,0,0]=4 424 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,0,1,0,0,0|3,0,0]=4 425 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,0,1,0,0,0|2,0,1]=4 426 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,0,1,0,0,0|3,0,0]=4 427 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,0,1,0,0,0|3,0,0]=4 428 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,0,1,0,0,0|3,0,0]=4 429 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,0,1,0,0,0|3,0,0]=4 430 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,0,1,0,0,0|3,0,0]=4 431 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,0,1,0,0,0|3,0,0]=4 432 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,0,1,0,0,0|3,0,0]=4 433 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,0,1,0,0,0|2,0,0]=3 434 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,0,1,0,0,0|3,0,0]=4 435 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,0,1,0,0,0|3,0,0]=4 436 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,0,1,0,0,0|2,0,1]=4 437 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,0,1,0,0,0|3,0,0]=4 438 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,0,1,0,0,0|3,0,0]=4 439 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,0,1,0,0,0|3,0,0]=4 440 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,0,1,0,0,0|3,0,0]=4 441 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,0,1,0,0,0|3,0,0]=4 442 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,0,1,0,0,0|3,0,0]=4 443 B10R0.86 C#CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000688953 [0,0,1,0,0,0|2,0,1]=4 444 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [0,0,1,0,0,0|2,0,1]=4 445 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [0,0,1,0,0,0|3,0,0]=4 446 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [0,0,1,0,0,0|3,0,0]=4 447 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [0,0,1,0,0,0|3,0,0]=4 448 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [0,0,1,0,0,0|3,0,0]=4 449 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,0,1,0,0,0|3,0,0]=4 450 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,0,1,0,0,0|3,0,0]=4 451 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [0,0,1,0,0,0|3,0,0]=4 452 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [0,0,1,0,0,0|3,0,0]=4 453 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [0,0,1,0,0,0|3,0,0]=4 454 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,0,1,0,0,0|2,0,0]=3 455 B10R0.86 CCC(OCCON)C(=O)N 34a_100000700252_100000750255 [0,0,1,0,0,0|3,0,0]=4 456 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [0,0,1,0,0,0|3,0,0]=4 457 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [0,0,1,0,0,0|3,0,0]=4 458 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,0,1,0,0,0|3,0,0]=4 459 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,0,1,0,0,0|3,0,0]=4 460 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,0,1,0,0,0|2,0,0]=3 461 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,0,1,0,0,0|2,0,0]=3 462 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,0,1,0,0,0|3,0,0]=4 463 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,0,1,0,0,0|3,0,0]=4 464 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,0,1,0,0,0|3,0,0]=4 465 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,0,1,0,0,0|3,0,0]=4 466 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,0,1,0,0,0|3,0,0]=4 467 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,0,1,0,0,0|2,0,0]=3 468 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,0,1,0,0,0|3,0,0]=4 469 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,0,1,0,0,0|3,0,0]=4 470 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,0,1,0,0,0|3,0,0]=4 471 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,0,1,0,0,0|3,0,0]=4 472 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,0,1,0,0,0|3,0,0]=4 473 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,0,1,0,0,0|3,0,0]=4 474 B10R0.86 CC[C@@H](NCCC#N)C(=O)O 269956a_100000747097_100011215226 [0,0,1,0,0,0|1,0,2]=4 475 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,0,1,0,0,0|2,0,0]=3 476 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,0,1,0,0,0|2,0,0]=3 477 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,0,1,0,0,0|3,0,0]=4 478 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,0,1,0,0,0|3,0,0]=4 479 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,0,1,0,0,0|3,0,0]=4 480 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,0,1,0,0,0|3,0,0]=4 481 B12R2.1767 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_100000210202 [0,0,0,1,0,0|3,0,0]=4 482 B12R2.1767 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_100000204670 [0,0,0,1,0,0|3,0,0]=4 483 B12R2.1767 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_100000210202 [0,0,0,1,0,0|3,0,0]=4 484 B12R2.1767 NC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CF 269982a_100121570788_100015361967 [0,0,0,1,0,0|3,0,0]=4 485 B12R2.1767 NC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CF 34a_100121570788_100015361967 [0,0,0,1,0,0|3,0,0]=4 486 B12R2.3199 CC(=O)C1CCC2(CC1)CC2 1458a_100000103586_200000210301 [0,0,0,1,0,0|2,0,0]=3 487 B12R2.3199 CC(=O)N1CCC2(CC1)CC2 11a_100000755616_100015343762 [0,0,0,1,0,0|3,0,0]=4 488 B12R2.3199 CC(=O)N1CCC2(CC1)CC2 1626a_100000755616_100015343762 [0,0,0,1,0,0|3,0,0]=4 489 B12R2.3199 CC(=O)N1CCC2(CC1)CC2 240690a_100000755616_100015343762 [0,0,0,1,0,0|3,0,0]=4 490 B12R2.3199 CC(=O)N1CCC2(CC1)CC2 527a_100000755616_100103153847 [0,0,0,1,0,0|3,0,0]=4 491 B12R2.3199 [13CH3]C(=O)C1CCC2(CC1)CC2 1458a_100000103586_200025704644 [0,0,0,1,0,0|2,0,0]=3 492 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 11a_100000045132_100015343762 [0,0,0,1,0,0|3,0,0]=4 493 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 240690a_100000045132_100015343762 [0,0,0,1,0,0|3,0,0]=4 494 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 527a_100000045132_100103153847 [0,0,0,1,0,0|3,0,0]=4 495 B12R2.6473 CC(=O)C12CCC(CC1)CC2 1458a_100000687502_200000210301 [0,0,0,1,0,0|2,0,0]=3 496 B12R2.6473 CC(=O)C12CCN(CC1)CC2 1458a_200000695605_200000210301 [0,0,0,1,0,0|3,0,0]=4 497 B12R2.6473 [13CH3]C(=O)C12CCC(CC1)CC2 1458a_100000687502_200025704644 [0,0,0,1,0,0|2,0,0]=3 498 B12R2.6473 [13CH3]C(=O)C12CCN(CC1)CC2 1458a_200000695605_200025704644 [0,0,0,1,0,0|3,0,0]=4 499 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,0,0,0,1,0|3,0,0]=4 500 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,0,0,0,1,0|3,0,0]=4 501 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,0,0,0,1,0|3,0,0]=4 502 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,0,0,0,1,0|3,0,0]=4 503 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,0,0,0,1,0|3,0,0]=4 504 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,0,0,0,1,0|3,0,0]=4 505 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,0,0,0,1,0|3,0,0]=4 506 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,0,1,0|2,0,0]=3 507 B10R1.31 NC(=O)C1CCN(C1)CF 269982a_100000752358_100015361967 [0,0,0,0,1,0|3,0,0]=4 508 B10R1.31 NC(=O)C1CCN(C1)CF 34a_100000752358_100015361967 [0,0,0,0,1,0|3,0,0]=4 509 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,0,1,0|2,0,0]=3 510 B12R1.4 CC(=O)NC1CCC(CC1)C#N 11a_100102422146_100015343762 [0,0,0,0,0,1|1,0,2]=4 511 B12R1.4 CC(=O)NC1CCC(CC1)C#N 1626a_100102422146_100015343762 [0,0,0,0,0,1|1,0,2]=4 512 B12R1.4 CC(=O)NC1CCC(CC1)C#N 240690a_100102422146_100015343762 [0,0,0,0,0,1|1,0,2]=4 513 B12R1.4 CC(=O)NC1CCC(CC1)C#N 527a_100102422146_100103153847 [0,0,0,0,0,1|1,0,2]=4 514 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 34a_100000161027_200025704644 [0,0,0,0,0,1|3,0,0]=4 515 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 7a_100000161027_200025704644 [0,0,0,0,0,1|3,0,0]=4 516 B12R1.4 CC(=O)NC1CCN(CC1)CF 269982a_100000747453_100015361967 [0,0,0,0,0,1|3,0,0]=4 517 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100015343762 [0,0,0,0,0,1|2,0,0]=3 518 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100103153847 [0,0,0,0,0,1|2,0,0]=3 519 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,0,0,0,0,1|2,0,0]=3 520 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,0,0,0,0,1|2,0,0]=3 521 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,0,0,0,0,1|2,0,0]=3 522 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,0,0,0,0,1|2,0,0]=3 523 B12R1.4 CCC1CCN(CC1)CC(=O)N 2230a_100000754474_100000747473 [0,0,0,0,0,1|3,0,0]=4 524 B12R1.4 CCC1CCN(CC1)CC(=O)N 269982a_100000754474_100000187820 [0,0,0,0,0,1|3,0,0]=4 525 B12R1.4 CCC1CCN(CC1)CC(=O)N 34a_100000754474_100000187820 [0,0,0,0,0,1|3,0,0]=4 526 B12R1.4 CCC1CCN(CC1)CC(=O)[O-] 269982a_100000754474_100020667443 [0,0,0,0,0,1|2,0,1]=4 527 B12R1.4 CCC1CCN(CC1)CC(=O)[O-] 34a_100000754474_100020667443 [0,0,0,0,0,1|2,0,1]=4 528 B12R1.4 CCN1CCC(CC1)CC(=O)C 1458a_200015183082_200000210301 [0,0,0,0,0,1|3,0,0]=4 529 B12R1.4 CCN1CCC(CC1)CC(=O)N 2230a_100011221598_100000210202 [0,0,0,0,0,1|3,0,0]=4 530 B12R1.4 CCN1CCC(CC1)CC(=O)N 34a_100011221598_100000210202 [0,0,0,0,0,1|3,0,0]=4 531 B12R1.4 CCN1CCC(CC1)CC(=O)[13CH3] 1458a_200015183082_200025704644 [0,0,0,0,0,1|3,0,0]=4 532 B12R1.4 CCN1CCC(CC1)NC(=O)C 11a_100000199033_100015343762 [0,0,0,0,0,1|3,0,0]=4 533 B12R1.4 CCN1CCC(CC1)NC(=O)C 1626a_100000199033_100015343762 [0,0,0,0,0,1|3,0,0]=4 534 B12R1.4 CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210202 [0,0,0,0,0,1|3,0,0]=4 535 B12R1.4 CCN1CCC(CC1)NC(=O)C 240690a_100000199033_100015343762 [0,0,0,0,0,1|3,0,0]=4 536 B12R1.4 CCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000204670 [0,0,0,0,0,1|3,0,0]=4 537 B12R1.4 CCN1CCC(CC1)NC(=O)C 527a_100000199033_100103153847 [0,0,0,0,0,1|3,0,0]=4 538 B12R1.4 CCN1CCC(CC1)NC(=O)N 2230a_100000751166_100000210202 [0,0,0,0,0,1|3,0,0]=4 539 B12R1.4 CNC1CCC(CC1)NC(=O)C 270004a_106832991635_100000735651 [0,0,0,0,0,1|3,0,0]=4 540 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,0,0,0,0,1|3,0,0]=4 541 B12R1.4 CNC1CCN(CC1)CC(=O)O 269956a_100160573092_200000210301 [0,0,0,0,0,1|3,0,0]=4 542 B12R1.4 COC1CCC(CC1)CC(=O)C 1458a_100000070787_100013032858 [0,0,0,0,0,1|3,0,0]=4 543 B12R1.4 COC1CCC(CC1)NC(=O)C 11a_100015205214_100015343762 [0,0,0,0,0,1|3,0,0]=4 544 B12R1.4 COC1CCC(CC1)NC(=O)C 1626a_100015205214_100015343762 [0,0,0,0,0,1|3,0,0]=4 545 B12R1.4 COC1CCC(CC1)NC(=O)C 240690a_100015205214_100015343762 [0,0,0,0,0,1|3,0,0]=4 546 B12R1.4 COC1CCC(CC1)NC(=O)C 34a_100000161027_200000210301 [0,0,0,0,0,1|3,0,0]=4 547 B12R1.4 COC1CCC(CC1)NC(=O)C 527a_100015205214_100103153847 [0,0,0,0,0,1|3,0,0]=4 548 B12R1.4 COC1CCC(CC1)NC(=O)C 7a_100000161027_200000210301 [0,0,0,0,0,1|3,0,0]=4 549 B12R1.4 NC(=O)CC1CCN(CC1)CF 34a_100011221598_100015361967 [0,0,0,0,0,1|3,0,0]=4 550 B12R1.4 NC(=O)CN1CCC(CC1)CF 2230a_100015203933_100000747473 [0,0,0,0,0,1|3,0,0]=4 551 B12R1.4 NC(=O)CN1CCC(CC1)CF 269982a_100015203933_100000187820 [0,0,0,0,0,1|3,0,0]=4 552 B12R1.4 NC(=O)CN1CCC(CC1)CF 34a_100015203933_100000187820 [0,0,0,0,0,1|3,0,0]=4 553 B12R1.4 NC(=O)CN1CCC(CC1)CO 2230a_100000738675_100000747473 [0,0,0,0,0,1|3,0,0]=4 554 B12R1.4 NC(=O)CN1CCC(CC1)CO 269982a_100000738675_100000187820 [0,0,0,0,0,1|3,0,0]=4 555 B12R1.4 NC(=O)CN1CCC(CC1)CO 34a_100000738675_100000187820 [0,0,0,0,0,1|3,0,0]=4 556 B12R1.4 O=C([O-])CN1CCC(CC1)CF 269982a_100015203933_100020667443 [0,0,0,0,0,1|2,0,1]=4 557 B12R1.4 O=C([O-])CN1CCC(CC1)CF 34a_100015203933_100020667443 [0,0,0,0,0,1|2,0,1]=4 558 B12R1.4 O=C([O-])CN1CCC(CC1)CO 269982a_100000738675_100020667443 [0,0,0,0,0,1|2,0,1]=4 559 B12R1.4 O=C([O-])CN1CCC(CC1)CO 34a_100000738675_100020667443 [0,0,0,0,0,1|2,0,1]=4 560 B12R1.4 [13CH3]NC1CCN(CC1)CC(=O)O 269956a_100160573092_200025704644 [0,0,0,0,0,1|3,0,0]=4 561 B12R1.1891 CCC1CCCN(CC1)C(=O)C 11a_100000757272_100015343762 [0,0,0,0,0,1|3,0,0]=4 562 B12R1.1891 CCC1CCCN(CC1)C(=O)C 1626a_100000757272_100015343762 [0,0,0,0,0,1|3,0,0]=4 563 B12R1.1891 CCC1CCCN(CC1)C(=O)C 240690a_100000757272_100015343762 [0,0,0,0,0,1|3,0,0]=4 564 B12R1.1891 CCC1CCCN(CC1)C(=O)C 527a_100000757272_100103153847 [0,0,0,0,0,1|3,0,0]=4 565 B12R1.1891 CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210202 [0,0,0,0,0,1|2,0,0]=3 566 B12R1.1891 O=C(O)C1CCCN(CC1)CF 269956a_100000134118_100015361967 [0,0,0,0,0,1|2,0,0]=3 567 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [1,0,1,0,0,0|1,0,1]=4 568 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [1,0,1,0,0,0|2,0,0]=4 569 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [1,0,1,0,0,0|1,0,1]=4 570 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [1,0,1,0,0,0|2,0,0]=4 571 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,0,1,0,0,0|2,0,0]=4 572 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,0,1,0,0,0|2,0,0]=4 573 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,0,1,0,0,0|2,0,0]=4 574 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,0,1,0,0,0|2,0,0]=4 575 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [1,0,1,0,0,0|2,0,0]=4 576 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [1,0,1,0,0,0|2,0,0]=4 577 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,0,1,0,0,0|1,0,0]=3 578 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,0,1,0,0,0|2,0,0]=4 579 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [1,0,1,0,0,0|2,0,0]=4 580 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [1,0,1,0,0,0|2,0,0]=4 581 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [1,0,1,0,0,0|1,0,1]=4 582 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [1,0,1,0,0,0|1,0,1]=4 583 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [1,0,1,0,0,0|2,0,0]=4 584 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [1,0,1,0,0,0|2,0,0]=4 585 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,0,1,0,0,0|2,0,0]=4 586 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,0,1,0,0,0|2,0,0]=4 587 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,0,1,0,0,0|2,0,0]=4 588 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [1,0,1,0,0,0|2,0,0]=4 589 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [1,0,1,0,0,0|2,0,0]=4 590 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [1,0,1,0,0,0|2,0,0]=4 591 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,0,1,0,0,0|2,0,0]=4 592 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,0,1,0,0,0|2,0,0]=4 593 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [1,0,1,0,0,0|2,0,0]=4 594 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [1,0,1,0,0,0|2,0,0]=4 595 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,0,1,0,0,0|2,0,0]=4 596 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,0,1,0,0,0|2,0,0]=4 597 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,0,1,0,0,0|2,0,0]=4 598 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [1,0,1,0,0,0|2,0,0]=4 599 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,0,1,0,0,0|1,0,0]=3 600 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [1,0,1,0,0,0|2,0,0]=4 601 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,0,1,0,0,0|1,0,0]=3 602 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,0,1,0,0,0|2,0,0]=4 603 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [1,0,1,0,0,0|2,0,0]=4 604 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [1,0,1,0,0,0|2,0,0]=4 605 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [1,0,1,0,0,0|2,0,0]=4 606 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [1,0,1,0,0,0|1,0,1]=4 607 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [1,0,1,0,0,0|1,0,1]=4 608 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [1,0,1,0,0,0|2,0,0]=4 609 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [1,0,1,0,0,0|1,0,1]=4 610 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [1,0,1,0,0,0|2,0,0]=4 611 B9R0.50 CCC(CC)CNCC=O 2230a_100102946423_200015260668 [1,0,1,0,0,0|2,0,0]=4 612 B9R0.50 CCC(CC)COCC=O 7a_100000703878_200015260668 [1,0,1,0,0,0|2,0,0]=4 613 B9R0.50 CCC(CC)CSCC=O 62a_100011215472_200015260668 [1,0,1,0,0,0|2,0,0]=4 614 B9R0.50 CCC(CC)CSCC=O 62a_200015260668_100011215472 [1,0,1,0,0,0|2,0,0]=4 615 B9R0.50 CCN(CC)CCCC=O 2230a_100000724800_200011292268 [1,0,1,0,0,0|2,0,0]=4 616 B9R0.50 CCN(CC)CCCC=O 269956a_100000042499_200011292268 [1,0,1,0,0,0|2,0,0]=4 617 B9R0.50 CCN(CC)CCCC=O 269982a_100000724800_200011292268 [1,0,1,0,0,0|2,0,0]=4 618 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,0,1,0,0,0|1,0,0]=3 619 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,0,1,0,0,0|2,0,0]=4 620 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,0,1,0,0,0|2,0,0]=4 621 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,0,1,0,0,0|2,0,0]=4 622 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,0,1,0,0,0|2,0,0]=4 623 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,0,1,0,0,0|2,0,0]=4 624 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,0,1,0,0,0|2,0,0]=4 625 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,0,1,0,0,0|2,0,0]=4 626 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,0,1,0,0,0|2,0,0]=4 627 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,0,1,0,0,0|2,0,0]=4 628 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,0,1,0,0,0|2,0,0]=4 629 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [1,0,1,0,0,0|2,0,0]=4 630 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [1,0,1,0,0,0|2,0,0]=4 631 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,0,1,0,0,0|1,0,0]=3 632 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [1,0,1,0,0,0|2,0,0]=4 633 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [1,0,1,0,0,0|2,0,0]=4 634 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [1,0,1,0,0,0|2,0,0]=4 635 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [1,0,1,0,0,0|2,0,0]=4 636 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [1,0,1,0,0,0|1,0,1]=4 637 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [1,0,1,0,0,0|2,0,0]=4 638 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [1,0,1,0,0,0|2,0,0]=4 639 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,0,1,0,0,0|2,0,0]=4 640 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,0,1,0,0,0|2,0,0]=4 641 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,0,1,0,0,0|1,0,0]=3 642 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,0,1,0,0,0|2,0,0]=4 643 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,0,1,0,0,0|2,0,0]=4 644 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [1,0,1,0,0,0|2,0,0]=4 645 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,0,1,0,0,0|2,0,0]=4 646 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [1,0,1,0,0,0|1,0,1]=4 647 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [1,0,1,0,0,0|1,0,1]=4 648 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,0,1,0,0,0|2,0,0]=4 649 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,0,1,0,0,0|2,0,0]=4 650 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [1,0,1,0,0,0|2,0,0]=4 651 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,0,1,0,0,0|2,0,0]=4 652 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,0,1,0,0,0|2,0,0]=4 653 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,0,1,0,0,0|2,0,0]=4 654 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,0,1,0,0,0|2,0,0]=4 655 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,0,1,0,0,0|2,0,0]=4 656 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [1,0,1,0,0,0|2,0,0]=4 657 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,0,1,0,0,0|2,0,0]=4 658 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [1,0,1,0,0,0|2,0,0]=4 659 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,0,1,0,0,0|1,0,0]=3 660 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,0,1,0,0,0|1,0,0]=3 661 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,0,1,0,0,0|1,0,0]=3 662 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,0,1,0,0,0|2,0,0]=4 663 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,0,1,0,0,0|2,0,0]=4 664 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,0,1,0,0,0|2,0,0]=4 665 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,0,1,0,0,0|2,0,0]=4 666 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,0,1,0,0,0|2,0,0]=4 667 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,0,1,0,0,0|2,0,0]=4 668 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,0,1,0,0,0|2,0,0]=4 669 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,0,1,0,0,0|2,0,0]=4 670 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 671 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 672 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 673 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,0,1,0,0,0|2,0,0]=4 674 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,0,1,0,0,0|2,0,0]=4 675 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,0,1,0,0,0|2,0,0]=4 676 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,0,1,0,0,0|2,0,0]=4 677 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,0,1,0,0,0|2,0,0]=4 678 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,0,1,0,0,0|2,0,0]=4 679 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,0,1,0,0,0|2,0,0]=4 680 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,0,1,0,0,0|2,0,0]=4 681 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,0,1,0,0,0|1,0,0]=3 682 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,0,1,0,0,0|2,0,0]=4 683 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,0,1,0,0,0|2,0,0]=4 684 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,0,1,0,0,0|2,0,0]=4 685 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,0,1,0,0,0|2,0,0]=4 686 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,0,1,0,0,0|2,0,0]=4 687 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,0,1,0,0,0|2,0,0]=4 688 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,0,1,0,0,0|2,0,0]=4 689 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,0,1,0,0,0|2,0,0]=4 690 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,0,1,0,0,0|2,0,0]=4 691 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,0,1,0,0,0|2,0,0]=4 692 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,0,1,0,0,0|2,0,0]=4 693 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [2,0,0,0,0,0|2,0,0]=4 695 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [2,0,0,0,0,0|1,0,1]=4 699 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [2,0,0,0,0,0|1,0,1]=4 700 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [2,0,0,0,0,0|1,0,1]=4 701 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [2,0,0,0,0,0|2,0,0]=4 702 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [2,0,0,0,0,0|2,0,0]=4 710 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [2,0,0,0,0,0|1,0,1]=4 715 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [2,0,0,0,0,0|1,0,1]=4 716 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [2,0,0,0,0,0|1,0,1]=4 717 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [2,0,0,0,0,0|1,0,0]=3 719 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [2,0,0,0,0,0|1,0,0]=3 720 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [2,0,0,0,0,0|2,0,0]=4 721 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [2,0,0,0,0,0|2,0,0]=4 723 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [2,0,0,0,0,0|2,0,0]=4 725 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [2,0,0,0,0,0|1,0,0]=3 727 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [2,0,0,0,0,0|2,0,0]=4 728 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [2,0,0,0,0,0|2,0,0]=4 729 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [2,0,0,0,0,0|2,0,0]=4 730 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [2,0,0,0,0,0|2,0,0]=4 731 B11R0.19 CCC(CC)CN(C)CC(=O)O 269956a_100000746989_100011215472 [0,1,1,0,0,0|2,0,0]=4 732 B11R0.21 CCC(CC)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215472 [0,1,1,0,0,0|2,0,0]=4 733 B11R0.21 CCC(CC)NCC(C)C(=O)O 269956a_100000749485_100000210505 [0,1,1,0,0,0|2,0,0]=4 734 B11R0.21 CCC(CC)NCC(F)C(=O)O 269956a_100000084737_100000210505 [0,1,1,0,0,0|2,0,0]=4 735 B11R0.45 COCC(CN)OCCC(=O)N 34a_100000756049_100000731001 [0,1,1,0,0,0|2,0,0]=4 736 B11R0.200 CCC(CC)CNCC(=O)OC 2230a_100102946423_100000747449 [0,1,1,0,0,0|2,0,0]=4 737 B11R0.200 CCC(CC)COCC(=O)OC 7a_100000703878_100000747449 [0,1,1,0,0,0|2,0,0]=4 738 B11R0.200 CCC(CC)CSCC(=O)OC 62a_100000747449_100011215472 [0,1,1,0,0,0|2,0,0]=4 739 B11R0.200 CCC(CC)CSCC(=O)OC 62a_100011215472_100000747449 [0,1,1,0,0,0|2,0,0]=4 740 B11R0.200 CCC(CC)NCCC(=O)OC 2230a_100000199018_100000204255 [0,1,1,0,0,0|2,0,0]=4 741 B11R0.200 CCC(CC)OCCC(=O)OC 7a_100000688536_100000204255 [0,1,1,0,0,0|2,0,0]=4 742 B11R0.200 CCC(CC)SCCC(=O)OC 62a_100000204255_100000210505 [0,1,1,0,0,0|2,0,0]=4 743 B11R0.200 CCC(CC)SCCC(=O)OC 62a_100000210505_100000204255 [0,1,1,0,0,0|2,0,0]=4 744 B11R0.200 CCN(CC)CCCC(=O)CO 1458a_100000210174_100000709985 [0,1,1,0,0,0|2,0,0]=4 745 B11R0.200 CCN(CC)CCCC(=O)OC 2230a_100000724800_100011218270 [0,1,1,0,0,0|2,0,0]=4 746 B11R0.200 CCN(CC)CCCC(=O)OC 269956a_100000042499_100011218270 [0,1,1,0,0,0|2,0,0]=4 747 B11R0.200 CCN(CC)CCCC(=O)OC 269982a_100000724800_100011218270 [0,1,1,0,0,0|2,0,0]=4 748 B11R0.200 CC[C@@H](CO)NCCC(=O)OC 2230a_100000709445_100000204255 [0,1,1,0,0,0|2,0,0]=4 749 B11R0.200 COC(=O)CCOC(CN)CN 34a_100000031598_100000742370 [0,1,1,0,0,0|2,0,0]=4 750 B11R0.273 CC(C)C(CN)COCC(=O)N 34a_100000692819_100000187820 [0,1,1,0,0,0|2,0,0]=4 751 B11R0.273 CC(C)C(CN)COCC(=O)[O-] 34a_100000692819_100020667443 [0,1,1,0,0,0|1,0,1]=4 752 B11R0.273 CC(C)C(CN)OCCC(=O)N 34a_100000759067_100000731001 [0,1,1,0,0,0|2,0,0]=4 753 B11R0.90 CCC(C)CNC(CO)C(=O)O 269956a_100000187304_100000748023 [0,1,1,0,0,0|2,0,0]=4 754 B11R0.90 CCC(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748023 [0,1,1,0,0,0|2,0,0]=4 755 B11R0.90 CCC(OCC(C)CN)C(=O)N 34a_100000744482_100000750255 [0,1,1,0,0,0|2,0,0]=4 756 B11R0.90 CC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100000747097_100000059175 [0,1,1,0,0,0|2,0,0]=4 757 B11R0.90 CC[C@H](C)CNC(CO)C(=O)O 269956a_100000187304_100009816398 [0,1,1,0,0,0|2,0,0]=4 758 B11R0.90 CC[C@H](C)CN[C@H](CC)C(=O)O 269956a_100000747097_100009816398 [0,1,1,0,0,0|2,0,0]=4 759 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,1,1,0,0,0|2,0,0]=4 760 B11R0.92 CC(C(=O)O)N(C)C[C@@H](C)CO 269956a_100000749554_100000059175 [0,1,1,0,0,0|2,0,0]=4 761 B11R0.92 CCC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748023 [0,1,1,0,0,0|2,0,0]=4 762 B11R0.92 CC[C@H](C)CN(C)C(C)C(=O)O 269956a_100000749554_100009816398 [0,1,1,0,0,0|2,0,0]=4 763 B11R0.120 CCC(C)CNC(C)C(=O)OC 2230a_100020588543_100000211248 [0,1,1,0,0,0|2,0,0]=4 764 B11R0.120 CCC(C)COC(C)C(=O)OC 34a_100011215400_100000748023 [0,1,1,0,0,0|2,0,0]=4 765 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000211248_100000748023 [0,1,1,0,0,0|2,0,0]=4 766 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000748023_100000211248 [0,1,1,0,0,0|2,0,0]=4 767 B11R0.120 CCC(C)OCC(C)C(=O)OC 34a_100000749362_100011215416 [0,1,1,0,0,0|2,0,0]=4 768 B11R0.120 CCC(C)OCC(C)C(=O)OC 7a_100000749362_100000758301 [0,1,1,0,0,0|2,0,0]=4 769 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000698445_100000758301 [0,1,1,0,0,0|2,0,0]=4 770 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000758301_100000698445 [0,1,1,0,0,0|2,0,0]=4 771 B11R0.120 CCN(C)CCC(C)C(=O)OC 2230a_100000225621_100000034942 [0,1,1,0,0,0|2,0,0]=4 772 B11R0.120 CCN(C)CCC(C)C(=O)OC 269982a_100000225621_100000034942 [0,1,1,0,0,0|2,0,0]=4 773 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 34a_100011215400_100009816398 [0,1,1,0,0,0|2,0,0]=4 774 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 7a_100009816381_100000211248 [0,1,1,0,0,0|2,0,0]=4 775 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100000211248_100009816398 [0,1,1,0,0,0|2,0,0]=4 776 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100009816398_100000211248 [0,1,1,0,0,0|2,0,0]=4 777 B11R0.120 CNC(=O)C(C)OCC(C)CN 34a_100000744482_100000731044 [0,1,1,0,0,0|2,0,0]=4 778 B11R0.120 COC(=O)C(C)COC(C)CF 34a_100016041109_100000698445 [0,1,1,0,0,0|2,0,0]=4 779 B11R0.120 COC(=O)C(C)COC(C)CN 34a_100000210904_100000698445 [0,1,1,0,0,0|1,0,0]=3 780 B11R0.120 COC(=O)C(C)COC(C)CO 34a_100000749362_100012180447 [0,1,1,0,0,0|2,0,0]=4 781 B11R0.120 COC(=O)C(C)COC(C)CO 7a_100000749362_100012180447 [0,1,1,0,0,0|2,0,0]=4 782 B11R0.120 COC(=O)C(C)CSC(C)CO 62a_100012180447_100000698445 [0,1,1,0,0,0|2,0,0]=4 783 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100000698445_100016084084 [0,1,1,0,0,0|2,0,0]=4 784 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100016084084_100000698445 [0,1,1,0,0,0|2,0,0]=4 785 B11R0.120 COC(=O)C(C)NCC(C)CO 34a_100000744482_100000211248 [0,1,1,0,0,0|2,0,0]=4 786 B11R0.120 COC(=O)C(C)OCC(C)CN 34a_100000744482_100000211248 [0,1,1,0,0,0|1,0,0]=3 787 B11R0.120 COC(=O)C(C)OC[C@@H](C)CO 34a_100011215400_100000059175 [0,1,1,0,0,0|2,0,0]=4 788 B11R0.120 COC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100000211248 [0,1,1,0,0,0|2,0,0]=4 789 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000211248 [0,1,1,0,0,0|2,0,0]=4 790 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000211248_100000059175 [0,1,1,0,0,0|2,0,0]=4 791 B11R0.141 CC(CC#N)NCC(C)C(=O)O 269956a_100000749485_100009813641 [0,1,1,0,0,0|1,0,1]=4 792 B11R0.141 CC(CCN)COC(C)C(=O)N 34a_106354213184_100000702099 [0,1,1,0,0,0|2,0,0]=4 793 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,1,1,0,0,0|2,0,0]=4 794 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,1,1,0,0,0|2,0,0]=4 795 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,1,1,0,0,0|2,0,0]=4 796 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,1,1,0,0,0|2,0,0]=4 797 B11R0.201 CC(CN)COC(C)(C)C(=O)N 34a_100000744482_100000702505 [0,1,1,0,0,0|2,0,0]=4 798 B11R0.201 CC(CN)OCC(C)(C)C(=O)N 34a_100000210904_200009895572 [0,1,1,0,0,0|2,0,0]=4 799 B11R0.201 CCC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000758301 [0,1,1,0,0,0|2,0,0]=4 800 B11R0.201 C[C@H](CO)NCC(C)(C)C(=O)O 269956a_100000693527_100016084084 [0,1,1,0,0,0|2,0,0]=4 801 B11R0.302 CCC(C)(C)NCC(C)C(=O)O 269956a_100000749485_100000032637 [0,1,1,0,0,0|2,0,0]=4 802 B11R0.302 C[C@H](NCC(C)(C)CO)C(=O)O 269956a_100000743915_100009813988 [0,1,1,0,0,0|2,0,0]=4 803 B11R0.55 CCCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000766640 [0,1,1,0,0,0|2,0,0]=4 804 B11R0.55 CC[C@@H](NC(C)CCO)C(=O)O 269956a_100000747097_100009893172 [0,1,1,0,0,0|2,0,0]=4 805 B11R0.75 CCC(NCCCF)C(=O)OC 2230a_100015189416_100000235869 [0,1,1,0,0,0|2,0,0]=4 806 B11R0.75 CCC(NCCCF)C(=O)OC 34a_100015189416_100000235869 [0,1,1,0,0,0|2,0,0]=4 807 B11R0.75 CCC(OCCCBr)C(=O)OC 34a_100011217188_100000235869 [0,1,1,0,0,0|2,0,0]=4 808 B11R0.75 CCC(OCCCCl)C(=O)OC 34a_100000230001_100000235869 [0,1,1,0,0,0|2,0,0]=4 809 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000695916_100011934791 [0,1,1,0,0,0|2,0,0]=4 810 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000759539_100000235869 [0,1,1,0,0,0|2,0,0]=4 811 B11R0.75 CCC(OCCCF)C(=O)OC 7a_100000695916_100011934791 [0,1,1,0,0,0|2,0,0]=4 812 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [0,1,1,0,0,0|1,0,0]=3 813 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [0,1,1,0,0,0|2,0,0]=4 814 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [0,1,1,0,0,0|2,0,0]=4 815 B11R0.75 CCC(OCCON)C(=O)OC 34a_100000700252_100000235869 [0,1,1,0,0,0|2,0,0]=4 816 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100000235869_100011934791 [0,1,1,0,0,0|2,0,0]=4 817 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100011934791_100000235869 [0,1,1,0,0,0|2,0,0]=4 818 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [0,1,1,0,0,0|2,0,0]=4 819 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [0,1,1,0,0,0|2,0,0]=4 820 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [0,1,1,0,0,0|2,0,0]=4 821 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [0,1,1,0,0,0|2,0,0]=4 822 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [0,1,1,0,0,0|2,0,0]=4 823 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [0,1,1,0,0,0|2,0,0]=4 824 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [0,1,1,0,0,0|2,0,0]=4 825 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [0,1,1,0,0,0|2,0,0]=4 826 B11R0.75 CCCCNC(CC)C(=O)OC 2230a_100000102301_100000235869 [0,1,1,0,0,0|2,0,0]=4 827 B11R0.75 CCCCNC(CC)C(=O)OC 7a_106832991798_100000742303 [0,1,1,0,0,0|2,0,0]=4 828 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000210227_100000235869 [0,1,1,0,0,0|2,0,0]=4 829 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000695916_100000210210 [0,1,1,0,0,0|2,0,0]=4 830 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000210227_100000742303 [0,1,1,0,0,0|2,0,0]=4 831 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000695916_100000210211 [0,1,1,0,0,0|2,0,0]=4 832 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000210211_100000235869 [0,1,1,0,0,0|2,0,0]=4 833 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000235869_100000210210 [0,1,1,0,0,0|2,0,0]=4 834 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [0,1,1,0,0,0|2,0,0]=4 835 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [0,1,1,0,0,0|2,0,0]=4 836 B11R0.75 COC(=O)C(OC)OCCCN 34a_100000182051_100000101307 [0,1,1,0,0,0|2,0,0]=4 837 B11R0.76 C#CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215417 [0,1,1,0,0,0|1,0,1]=4 838 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,1,1,0,0,0|1,0,1]=4 839 B11R0.76 CCC(NCCCCF)C(=O)N 2230a_100000733705_100000729493 [0,1,1,0,0,0|2,0,0]=4 840 B11R0.76 CCC(NCCCCF)C(=O)N 34a_100000733705_100000729493 [0,1,1,0,0,0|2,0,0]=4 841 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [0,1,1,0,0,0|2,0,0]=4 842 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [0,1,1,0,0,0|2,0,0]=4 843 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [0,1,1,0,0,0|2,0,0]=4 844 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [0,1,1,0,0,0|2,0,0]=4 845 B11R0.76 CCC(OCCCCBr)C(=O)N 34a_100011216708_100000750255 [0,1,1,0,0,0|2,0,0]=4 846 B11R0.76 CCC(OCCCCCl)C(=O)N 34a_100000210776_100000750255 [0,1,1,0,0,0|2,0,0]=4 847 B11R0.76 CCC(OCCCCCl)C(=O)N 7a_100000210776_100000750255 [0,1,1,0,0,0|2,0,0]=4 848 B11R0.76 CCC(OCCCCF)C(=O)N 34a_100011995726_100000750255 [0,1,1,0,0,0|2,0,0]=4 849 B11R0.76 CCC(OCCCCF)C(=O)N 7a_100011995726_100000750255 [0,1,1,0,0,0|2,0,0]=4 850 B11R0.76 CCC(OCCCCI)C(=O)N 34a_200012148704_100000750255 [0,1,1,0,0,0|2,0,0]=4 851 B11R0.76 CCC(OCCCCN)C(=O)N 34a_100000750430_100000750255 [0,1,1,0,0,0|1,0,0]=3 852 B11R0.76 CCC(OCCCNC)C(=O)N 34a_100000213112_100000750255 [0,1,1,0,0,0|2,0,0]=4 853 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000729493_100000750255 [0,1,1,0,0,0|2,0,0]=4 854 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000750255_100000729493 [0,1,1,0,0,0|2,0,0]=4 855 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000210776_100000750255 [0,1,1,0,0,0|2,0,0]=4 856 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000750255_100000210776 [0,1,1,0,0,0|2,0,0]=4 857 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,1,1,0,0,0|2,0,0]=4 858 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,1,1,0,0,0|2,0,0]=4 859 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,1,1,0,0,0|2,0,0]=4 860 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,1,1,0,0,0|2,0,0]=4 861 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,1,1,0,0,0|1,0,0]=3 862 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,1,1,0,0,0|2,0,0]=4 863 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,1,1,0,0,0|2,0,0]=4 864 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,1,1,0,0,0|2,0,0]=4 865 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,1,1,0,0,0|2,0,0]=4 866 B11R0.76 CCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210147 [0,1,1,0,0,0|2,0,0]=4 867 B11R0.76 CCSCCN[C@H](CC)C(=O)O 269956a_100000747097_100000757381 [0,1,1,0,0,0|2,0,0]=4 868 B11R0.76 CC[C@@H](NCCCC#N)C(=O)O 269956a_100000747097_100000687738 [0,1,1,0,0,0|0,0,2]=4 869 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [0,1,1,0,0,0|1,0,1]=4 870 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,1,1,0,0,0|1,0,0]=3 871 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,1,1,0,0,0|1,0,0]=3 872 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,1,1,0,0,0|2,0,0]=4 873 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,1,1,0,0,0|2,0,0]=4 874 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,1,1,0,0,0|2,0,0]=4 875 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,1,1,0,0,0|2,0,0]=4 876 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,1,1,0,0,0|2,0,0]=4 877 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,1,1,0,0,0|2,0,0]=4 878 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,1,1,0,0,0|2,0,0]=4 879 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,1,1,0,0,0|2,0,0]=4 880 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,1,1,0,0,0|2,0,0]=4 881 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,1,1,0,0,0|2,0,0]=4 882 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,1,1,0,0,0|2,0,0]=4 883 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,1,1,0,0,0|2,0,0]=4 884 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,1,1,0,0,0|2,0,0]=4 885 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,1,1,0,0,0|2,0,0]=4 886 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,1,1,0,0,0|2,0,0]=4 887 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,1,1,0,0,0|2,0,0]=4 888 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,1,1,0,0,0|2,0,0]=4 889 B11R0.153 CC(C)C(OCCCN)C(=O)N 34a_100000182051_100000230017 [0,1,1,0,0,0|2,0,0]=4 890 B11R0.153 CC(C)[C@@H](NCCCF)C(=O)O 269956a_100000745019_100011934791 [0,1,1,0,0,0|2,0,0]=4 891 B11R0.153 CC(C)[C@@H](NCCCO)C(=O)O 269956a_100000745019_100011215043 [0,1,1,0,0,0|2,0,0]=4 892 B11R0.153 CC(O)C(NCCCF)C(=O)O 269956a_100000185852_100011934791 [0,1,1,0,0,0|2,0,0]=4 893 B11R0.153 CC(O)C(NCCCO)C(=O)O 269956a_100000185852_100011215043 [0,1,1,0,0,0|2,0,0]=4 894 B11R0.153 CCCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210211 [0,1,1,0,0,0|2,0,0]=4 895 B11R0.153 CCCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210211 [0,1,1,0,0,0|2,0,0]=4 896 B11R0.329 CCC(C)(NCCCF)C(=O)O 269956a_100025756313_100011934791 [0,1,1,0,0,0|2,0,0]=4 897 B11R0.329 CCC(C)(NCCCO)C(=O)O 269956a_100025756313_100011215043 [0,1,1,0,0,0|2,0,0]=4 898 B11R0.329 CCCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210211 [0,1,1,0,0,0|2,0,0]=4 899 B11R1.83 CCC1CCN(CC1)CC=O 2230a_100000754474_200015260668 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.83 CCC1CCN(CC1)CC=O 269982a_100000754474_200015260668 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.83 CCC1CCN(CC1)CC=O 34a_100000754474_200009817547 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.83 CCNC1CCC(CC1)CO 270004a_100015525214_100000062911 [1,1,0,0,0,0|1,0,1]=4 903 B11R1.83 CCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000210202 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.83 CNCC1CCC(CC1)OC 2230a_106832991635_100013032858 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.83 CNCC1CCC(CC1)OC 34a_100102657272_100013032858 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.83 CNCC1CCC(CC1)OC 7a_106832991635_100013032858 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.83 CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_200000210301 [1,1,0,0,0,0|0,0,1]=3 908 B11R1.83 CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_200000210301 [1,1,0,0,0,0|0,0,1]=3 909 B11R1.83 COC1CCC(CC1)CCN 34a_200011935226_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.83 COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_200000210301 [1,1,0,0,0,0|0,0,1]=3 911 B11R1.83 O=CCN1CCC(CC1)CF 2230a_100015203933_200015260668 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.83 O=CCN1CCC(CC1)CF 269982a_100015203933_200015260668 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.83 O=CCN1CCC(CC1)CF 34a_100015203933_200009817547 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.83 O=CCN1CCC(CC1)CO 2230a_100000738675_200015260668 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.83 O=CCN1CCC(CC1)CO 269982a_100000738675_200015260668 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.83 O=CCN1CCC(CC1)CO 34a_100000738675_200009817547 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.83 OC[C@H]1CC[C@@H](CC1)NCF 34a_100009821084_100015361967 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.83 [13CH3]NC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_200025704644 [1,1,0,0,0,0|0,0,1]=3 919 B11R1.83 [13CH3]NC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_200025704644 [1,1,0,0,0,0|0,0,1]=3 920 B11R1.83 [13CH3]OC1CCC(CC1)CCN 34a_200011935226_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.83 [13CH3]OC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_200025704644 [1,1,0,0,0,0|0,0,1]=3 922 B11R1.21 CC(=O)N1CCC(C(C1)O)C 11a_100000696640_100015343762 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.21 CC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100015343762 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.21 CC(=O)N1CCC(C(C1)O)C 527a_100000696640_100103153847 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.22 C=CC(=O)N1CCC(CC1)C 240690a_100000188429_200121576911 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [1,1,0,0,0,0|0,0,0]=2 929 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [1,1,0,0,0,0|1,0,0]=3 932 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [1,1,0,0,0,0|1,0,0]=3 937 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.22 CN1CCN(CC1)C(=O)CO 240690a_100000188432_100000210174 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.22 CN1CCN(CC1)C(=O)CO 527a_100000188432_100000210174 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [1,1,0,0,0,0|1,0,0]=3 954 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [1,1,0,0,0,0|1,0,0]=3 955 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [1,1,0,0,0,0|1,0,0]=3 956 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [1,1,0,0,0,0|1,0,0]=3 957 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [1,1,0,0,0,0|1,0,0]=3 958 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [1,1,0,0,0,0|1,0,0]=3 961 B11R1.22 COC(=O)N1CCN(CC1)C 2230a_100000742817_200000210301 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.22 COC(=O)N1CCN(CC1)C 269982a_100000742817_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 2230a_100000742817_200025704644 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 269982a_100000742817_200025704644 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [1,1,0,0,0,0|1,0,0]=3 966 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.22 O=C(CO)N1CCC(CC1)F 240690a_100015193889_100000210174 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.22 O=C(CO)N1CCC(CC1)F 527a_100015193889_100000210174 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.22 O=C(CO)N1CCC(CC1)O 240690a_100025773856_100000210174 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.22 O=C(CO)N1CCC(CC1)O 527a_100025773856_100000210174 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [1,1,0,0,0,0|1,0,0]=3 975 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [1,1,0,0,0,0|1,0,0]=3 976 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [1,1,0,0,0,0|1,0,0]=3 977 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [1,1,0,0,0,0|1,0,0]=3 979 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.727 CC(=O)N1CCC(CC1)(C)C 11a_100000750138_100015343762 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.727 CC(=O)N1CCC(CC1)(C)C 1626a_100000750138_100015343762 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.727 CC(=O)N1CCC(CC1)(C)C 240690a_100000750138_100015343762 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.727 CC(=O)N1CCC(CC1)(C)C 527a_100000750138_100103153847 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.727 CC(=O)N1CCC(CC1)(C)O 240690a_100000690209_100015343762 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.727 CC(=O)N1CCC(CC1)(C)O 527a_100000690209_100103153847 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [0,1,0,0,1,0|2,0,0]=4 989 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [0,1,0,0,1,0|2,0,0]=4 990 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,0,1,0|2,0,0]=4 991 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,0,1,0|2,0,0]=4 992 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,0,1,0|2,0,0]=4 993 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,0,1,0|2,0,0]=4 994 B11R1.44 COC(=O)[C@@H]1CCN(C1)CF 269982a_100016989057_100015361967 [0,1,0,0,1,0|2,0,0]=4 995 B11R1.44 O=C(CO)N1CCC(C1)CO 240690a_100000748654_100000210174 [0,1,0,0,1,0|2,0,0]=4 996 B11R1.44 O=C(CO)N1CCC(C1)CO 527a_100000748654_100000210174 [0,1,0,0,1,0|2,0,0]=4 997 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,0,1,0|1,0,0]=3 998 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,0,1,0|1,0,0]=3 999 B13R1.5 C=CC(=O)NC1CCC(CC1)CC 1626a_100011194317_100000185746 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.5 C=CC(=O)NC1CCC(CC1)CC 240690a_100011194317_200121576911 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.5 C=CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_200121576911 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.5 CCC(=O)NC1CCC(CC1)CC 11a_100011194317_100000210414 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.5 CCC(=O)NC1CCC(CC1)CC 1626a_100011194317_100000210414 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.5 CCC(=O)NC1CCC(CC1)CC 240690a_100011194317_100000210414 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.5 CCC(=O)NC1CCC(CC1)CC 527a_100011194317_100000210414 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.5 CCC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100000210414 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.5 CCC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100000210414 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.5 CCC1CCC(CC1)NC(=O)CO 240690a_100011194317_100000210174 [0,1,0,0,0,1|1,0,0]=3 1009 B13R1.5 CCC1CCC(CC1)NC(=O)CO 527a_100011194317_100000210174 [0,1,0,0,0,1|1,0,0]=3 1010 B13R1.5 CCC1CCC(CC1)NC(=O)NC 2708a_100011194317_106832991635 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.5 CCC1CCC(CC1)NC(=O)NC 2708a_100102657272_100011194317 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.5 CCC1CCC(CC1)NC(=O)NC 273464a_100011194317_100102657272 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.5 CCC1CCC(CC1)NC(=O)NC 273464a_100102657272_100011194317 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.5 CCC1CCC(CC1)NC(=O)NC 512a_100011194317_100102657272 [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.5 CCC1CCC(CC1)NC(=O)NC 512a_106832991638_100011194317 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.5 CCC1CCN(CC1)CC(=O)OC 2230a_100000754474_100000747449 [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.5 CCC1CCN(CC1)CC(=O)OC 269982a_100000754474_100000747449 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.5 CCC1CCN(CC1)CC(=O)OC 34a_100000754474_100000747449 [0,1,0,0,0,1|2,0,0]=4 1019 B13R1.5 CCN1CCC(CC1)CC(=O)OC 2230a_100015189564_100000210202 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.5 CCN1CCC(CC1)CC(=O)OC 269982a_100015189564_100000204670 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.5 CCN1CCC(CC1)NC(=O)CO 240690a_100000199033_100000210174 [0,1,0,0,0,1|2,0,0]=4 1022 B13R1.5 CCN1CCC(CC1)NC(=O)CO 527a_100000199033_100000210174 [0,1,0,0,0,1|2,0,0]=4 1023 B13R1.5 CCN1CCC(CC1)NC(=O)OC 2230a_100025775168_100000210202 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.5 CCN1CCC(CC1)NC(=O)OC 269982a_100025775168_100000204670 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.5 CCN1CCC(CC1)NC(=O)OC 34a_100025775168_100000210202 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 2708a_100102657272_100009821084 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 273464a_100009821084_100102657272 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 273464a_100102657272_100009821084 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 512a_106832991638_100009821084 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.5 CNC1CCC(CC1)CC(=O)OC 270004a_106832991635_100000090946 [0,1,0,0,0,1|2,0,0]=4 1031 B13R1.5 COC(=O)CC1CCN(CC1)CF 269982a_100015189564_100015361967 [0,1,0,0,0,1|2,0,0]=4 1032 B13R1.5 COC(=O)CN1CCC(CC1)CF 2230a_100015203933_100000747449 [0,1,0,0,0,1|2,0,0]=4 1033 B13R1.5 COC(=O)CN1CCC(CC1)CF 269982a_100015203933_100000747449 [0,1,0,0,0,1|2,0,0]=4 1034 B13R1.5 COC(=O)CN1CCC(CC1)CF 34a_100015203933_100000747449 [0,1,0,0,0,1|2,0,0]=4 1035 B13R1.5 COC(=O)CN1CCC(CC1)CO 2230a_100000738675_100000747449 [0,1,0,0,0,1|2,0,0]=4 1036 B13R1.5 COC(=O)CN1CCC(CC1)CO 269982a_100000738675_100000747449 [0,1,0,0,0,1|2,0,0]=4 1037 B13R1.5 COC(=O)CN1CCC(CC1)CO 34a_100000738675_100000747449 [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.5 COC(=O)NC1CCN(CC1)CF 269982a_100025775168_100015361967 [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.5 COC(=O)NC1CCN(CC1)CF 34a_100025775168_100015361967 [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.5 COC1CCC(CC1)CC(=O)CO 1458a_100000210174_100013032858 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.5 COC1CCC(CC1)NC(=O)CO 240690a_100015205214_100000210174 [0,1,0,0,0,1|2,0,0]=4 1042 B13R1.5 COC1CCC(CC1)NC(=O)CO 527a_100015205214_100000210174 [0,1,0,0,0,1|2,0,0]=4 1043 B13R1.5 N#CC1CCC(CC1)NC(=O)CO 240690a_100102422146_100000210174 [0,1,0,0,0,1|0,0,2]=4 1044 B13R1.5 N#CC1CCC(CC1)NC(=O)CO 527a_100102422146_100000210174 [0,1,0,0,0,1|0,0,2]=4 1045 B13R1.5 O=C(CO)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100000210174 [0,1,0,0,0,1|1,0,0]=3 1046 B13R1.5 O=C(CO)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100000210174 [0,1,0,0,0,1|1,0,0]=3 1047 B13R1.36 CC(=O)N(C)[C@H]1CC[C@@H](CC1)CO 11a_100009831571_100015343762 [0,1,0,0,0,1|2,0,0]=4 1048 B13R1.36 CC(=O)N(C)[C@H]1CC[C@@H](CC1)CO 240690a_100009831571_100015343762 [0,1,0,0,0,1|2,0,0]=4 1049 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 11a_100000207529_100015343762 [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 1626a_100000207529_100015343762 [0,1,0,0,0,1|2,0,0]=4 1051 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 240690a_100000207529_100015343762 [0,1,0,0,0,1|2,0,0]=4 1052 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 527a_100000207529_100103153847 [0,1,0,0,0,1|2,0,0]=4 1053 B13R1.142 CC(=O)NC1CCC(CC1)CCO 1626a_100000070672_100015343762 [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.142 CC(=O)NC1CCC(CC1)CCO 240690a_100000070672_100015343762 [0,1,0,0,0,1|2,0,0]=4 1055 B13R1.142 CC(=O)NC1CCC(CC1)CCO 527a_100000070672_100103153847 [0,1,0,0,0,1|2,0,0]=4 1056 B13R1.142 CC(=O)NC1CCC(CC1)OCF 34a_100000161027_100015361967 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.142 CC(=O)NC1CCC(CC1)OCF 7a_100000161027_100015361967 [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 11a_100132307480_100015343762 [0,1,0,0,0,1|1,0,1]=4 1059 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 1626a_100132307480_100015343762 [0,1,0,0,0,1|1,0,1]=4 1060 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 240690a_100132307480_100015343762 [0,1,0,0,0,1|1,0,1]=4 1061 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 527a_100132307480_100103153847 [0,1,0,0,0,1|1,0,1]=4 1062 B13R1.142 CCCC1CCC(CC1)NC(=O)C 11a_100011234333_100015343762 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.142 CCCC1CCC(CC1)NC(=O)C 1626a_100011234333_100015343762 [0,1,0,0,0,1|2,0,0]=4 1064 B13R1.142 CCCC1CCC(CC1)NC(=O)C 240690a_100011234333_100015343762 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.142 CCCC1CCC(CC1)NC(=O)C 527a_100011234333_100103153847 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.142 CCNC1CCC(CC1)NC(=O)C 270004a_100015525214_100000735651 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.142 CCNC1CCC(CC1)OC(=O)C 270004a_100015525214_200000086378 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.142 CCNC1CCN(CC1)CC(=O)O 269956a_100160573092_100000210202 [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.142 CCOC1CCC(CC1)NC(=O)C 34a_100000161027_100000210202 [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.142 CCOC1CCC(CC1)NC(=O)C 7a_100000161027_100000210202 [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.142 O=C(O)CN1CCC(CC1)NCF 269956a_100160573092_100015361967 [0,1,0,0,0,1|2,0,0]=4 1072 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 11a_100011734324_100015343762 [0,1,0,0,0,1|2,0,0]=4 1073 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 1626a_100011734324_100015343762 [0,1,0,0,0,1|2,0,0]=4 1074 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 240690a_100011734324_100015343762 [0,1,0,0,0,1|2,0,0]=4 1075 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 527a_100011734324_100103153847 [0,1,0,0,0,1|2,0,0]=4 1076 B13R1.2171 CCC1CCCN(CC1)C(=O)CO 240690a_100000757272_100000210174 [0,1,0,0,0,1|2,0,0]=4 1077 B13R1.2171 CCC1CCCN(CC1)C(=O)CO 527a_100000757272_100000210174 [0,1,0,0,0,1|2,0,0]=4 1078 B13R1.4103 C#CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000184674 [0,1,0,0,0,1|2,0,0]=4 1079 B13R1.4103 C=CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210623 [0,1,0,0,0,1|2,0,0]=4 1080 B13R1.4103 CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210207 [0,1,0,0,0,1|2,0,0]=4 1081 B13R1.4103 COCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000766300 [0,1,0,0,0,1|2,0,0]=4 1082 B13R1.4103 CSCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011218213 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.4103 N#CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011215382 [0,1,0,0,0,1|1,0,1]=4 1084 B13R1.4103 O=C(O)C1CCCN(CC1)CCF 269956a_100000134118_100011217306 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.4103 O=C(O)C1CCCN(CC1)CCO 269956a_100000134118_100000211926 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.4103 O=CCN1CCCC(CC1)C(=O)O 269956a_100000134118_200015260668 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.8652 CC(C)N1CCCC(CC1)C(=O)O 269956a_100000134118_100000210206 [0,1,0,0,0,1|2,0,0]=4 1088 B13R1.139 C#CCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000038162 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.139 C=CCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000210623 [0,2,0,0,0,0|2,0,0]=4 1090 B13R1.139 C=CCN1CCC(CC1)C(=O)OC 269982a_100000212072_100000210623 [0,2,0,0,0,0|2,0,0]=4 1091 B13R1.139 CCCC1CCN(CC1)C(=O)CO 240690a_100015355601_100000210174 [0,2,0,0,0,0|2,0,0]=4 1092 B13R1.139 CCCC1CCN(CC1)C(=O)CO 527a_100015355601_100000210174 [0,2,0,0,0,0|2,0,0]=4 1093 B13R1.139 CCCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000210303 [0,2,0,0,0,0|2,0,0]=4 1094 B13R1.139 CCCN1CCC(CC1)C(=O)OC 269982a_100000212072_100000210303 [0,2,0,0,0,0|2,0,0]=4 1095 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)CC 1458a_100009815004_100000210202 [0,2,0,0,0,0|2,0,0]=4 1096 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815004_100015361967 [0,2,0,0,0,0|2,0,0]=4 1097 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)NC 11a_106832991635_100009815004 [0,2,0,0,0,0|2,0,0]=4 1098 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)NC 1626a_100102657272_100009815004 [0,2,0,0,0,0|2,0,0]=4 1099 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)NC 240690a_100102657272_100009815004 [0,2,0,0,0,0|2,0,0]=4 1100 B13R1.139 CCC[C@H]1CC[C@@H](CC1)C(=O)NC 527a_100102657272_100009815004 [0,2,0,0,0,0|2,0,0]=4 1101 B13R1.139 CCNC1CCC(CC1)C(=O)NC 2230a_200011212063_100000210202 [0,2,0,0,0,0|2,0,0]=4 1102 B13R1.139 CCNC1CCC(CC1)C(=O)NC 34a_200011212063_100000210202 [0,2,0,0,0,0|2,0,0]=4 1103 B13R1.139 CCNC1CCC(CC1)C(=O)OC 270004a_100015525214_100000760125 [0,2,0,0,0,0|1,0,0]=3 1104 B13R1.139 CCNC1CCN(CC1)C(=O)OC 270004a_100015525214_100000236169 [0,2,0,0,0,0|2,0,0]=4 1105 B13R1.139 CCOC1CCN(CC1)C(=O)CO 240690a_100016990603_100000210174 [0,2,0,0,0,0|2,0,0]=4 1106 B13R1.139 CCOC1CCN(CC1)C(=O)CO 527a_100016990603_100000210174 [0,2,0,0,0,0|2,0,0]=4 1107 B13R1.139 CCO[C@H]1CC[C@@H](CC1)C(=O)OC 34a_100015271307_100000210202 [0,2,0,0,0,0|1,0,0]=3 1108 B13R1.139 CCO[C@H]1CC[C@@H](CC1)C(=O)OC 7a_100015271307_100000210202 [0,2,0,0,0,0|1,0,0]=3 1109 B13R1.139 CNC(=O)C1CCC(CC1)NCF 34a_200011212063_100015361967 [0,2,0,0,0,0|2,0,0]=4 1110 B13R1.139 CNC[C@H]1CC[C@@H](CC1)C(=O)OC 2230a_106832991635_102125979499 [0,2,0,0,0,0|0,0,0]=2 1111 B13R1.139 CNC[C@H]1CC[C@@H](CC1)C(=O)OC 34a_100102657272_102125979499 [0,2,0,0,0,0|0,0,0]=2 1112 B13R1.139 CNC[C@H]1CC[C@@H](CC1)C(=O)OC 7a_106832991635_102125979499 [0,2,0,0,0,0|0,0,0]=2 1113 B13R1.139 COC(=O)C1CCN(CC1)CC#N 2230a_100000212072_100011215382 [0,2,0,0,0,0|1,0,1]=4 1114 B13R1.139 COC(=O)C1CCN(CC1)CC#N 269982a_100000212072_100011214920 [0,2,0,0,0,0|1,0,1]=4 1115 B13R1.139 COC(=O)C1CCN(CC1)CC=O 2230a_100000212072_200015260668 [0,2,0,0,0,0|2,0,0]=4 1116 B13R1.139 COC(=O)C1CCN(CC1)CC=O 269982a_100000212072_200015260668 [0,2,0,0,0,0|2,0,0]=4 1117 B13R1.139 COC(=O)C1CCN(CC1)CCF 2230a_100000212072_100011217306 [0,2,0,0,0,0|2,0,0]=4 1118 B13R1.139 COC(=O)C1CCN(CC1)CCF 269982a_100000212072_100011217306 [0,2,0,0,0,0|2,0,0]=4 1119 B13R1.139 COC(=O)C1CCN(CC1)CCO 2230a_100000212072_100000211926 [0,2,0,0,0,0|2,0,0]=4 1120 B13R1.139 COC(=O)C1CCN(CC1)CCO 269982a_100000212072_100000211926 [0,2,0,0,0,0|2,0,0]=4 1121 B13R1.139 COC(=O)C1CCN(CC1)CSC 2230a_100000212072_100011218213 [0,2,0,0,0,0|2,0,0]=4 1122 B13R1.139 COC(=O)C1CCN(CC1)CSC 269982a_100000212072_100011218213 [0,2,0,0,0,0|2,0,0]=4 1123 B13R1.139 COC(=O)N1CCC(CC1)CO[13CH3] 34a_100000723402_200025704644 [0,2,0,0,0,0|2,0,0]=4 1124 B13R1.139 COC(=O)N1CCC(CC1)CO[13CH3] 7a_100000723402_200025704644 [0,2,0,0,0,0|2,0,0]=4 1125 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CO[13CH3] 34a_100016146585_200025704644 [0,2,0,0,0,0|1,0,0]=3 1126 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CO[13CH3] 7a_100016146585_200025704644 [0,2,0,0,0,0|1,0,0]=3 1127 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CSC 62a_102125979499_200000210301 [0,2,0,0,0,0|1,0,0]=3 1128 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CSC 62a_200000210301_102125979499 [0,2,0,0,0,0|1,0,0]=3 1129 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CS[13CH3] 62a_102125979499_200025704644 [0,2,0,0,0,0|1,0,0]=3 1130 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)CS[13CH3] 62a_200025704644_102125979499 [0,2,0,0,0,0|1,0,0]=3 1131 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)OCF 34a_100015271307_100015361967 [0,2,0,0,0,0|1,0,0]=3 1132 B13R1.139 COC(=O)[C@H]1CC[C@@H](CC1)OCF 7a_100015271307_100015361967 [0,2,0,0,0,0|1,0,0]=3 1133 B13R1.139 COCC1CCN(CC1)C(=O)CO 240690a_100000755097_100000210174 [0,2,0,0,0,0|2,0,0]=4 1134 B13R1.139 COCC1CCN(CC1)C(=O)CO 527a_100000755097_100000210174 [0,2,0,0,0,0|2,0,0]=4 1135 B13R1.139 COCC1CCN(CC1)C(=O)OC 34a_100000723402_200000210301 [0,2,0,0,0,0|2,0,0]=4 1136 B13R1.139 COCC1CCN(CC1)C(=O)OC 7a_100000723402_200000210301 [0,2,0,0,0,0|2,0,0]=4 1137 B13R1.139 COCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000766300 [0,2,0,0,0,0|2,0,0]=4 1138 B13R1.139 COCN1CCC(CC1)C(=O)OC 269982a_100000212072_100000766300 [0,2,0,0,0,0|2,0,0]=4 1139 B13R1.139 COC[C@H]1CC[C@@H](CC1)C(=O)OC 34a_100016146585_200000210301 [0,2,0,0,0,0|1,0,0]=3 1140 B13R1.139 COC[C@H]1CC[C@@H](CC1)C(=O)OC 34a_100138415774_102125979499 [0,2,0,0,0,0|1,0,0]=3 1141 B13R1.139 COC[C@H]1CC[C@@H](CC1)C(=O)OC 7a_100016146585_200000210301 [0,2,0,0,0,0|1,0,0]=3 1142 B13R1.139 CSCC1CCN(CC1)C(=O)CO 240690a_100015187637_100000210174 [0,2,0,0,0,0|2,0,0]=4 1143 B13R1.139 CSCC1CCN(CC1)C(=O)CO 527a_100015187637_100000210174 [0,2,0,0,0,0|2,0,0]=4 1144 B13R1.139 N#CCC1CCN(CC1)C(=O)CO 240690a_100000697787_100000210174 [0,2,0,0,0,0|1,0,1]=4 1145 B13R1.139 N#CCC1CCN(CC1)C(=O)CO 527a_100000697787_100000210174 [0,2,0,0,0,0|1,0,1]=4 1146 B13R1.139 O=C(CO)N1CCC(CC1)CCO 240690a_100015190746_100000210174 [0,2,0,0,0,0|2,0,0]=4 1147 B13R1.139 O=C(CO)N1CCC(CC1)CCO 527a_100015190746_100000210174 [0,2,0,0,0,0|2,0,0]=4 1148 B13R1.452 C#CCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000184674 [0,2,0,0,0,0|2,0,0]=4 1149 B13R1.452 C#CCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000184674 [0,2,0,0,0,0|2,0,0]=4 1150 B13R1.452 C=CCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000210623 [0,2,0,0,0,0|2,0,0]=4 1151 B13R1.452 C=CCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210623 [0,2,0,0,0,0|2,0,0]=4 1152 B13R1.452 CCC1CCN(CC1)C(=O)CCO 240690a_100000754474_100011216618 [0,2,0,0,0,0|2,0,0]=4 1153 B13R1.452 CCC1CCN(CC1)C(=O)COC 11a_100000754474_100000210968 [0,2,0,0,0,0|2,0,0]=4 1154 B13R1.452 CCC1CCN(CC1)C(=O)COC 1626a_100000754474_100000210968 [0,2,0,0,0,0|2,0,0]=4 1155 B13R1.452 CCC1CCN(CC1)C(=O)COC 240690a_100000754474_100000210968 [0,2,0,0,0,0|2,0,0]=4 1156 B13R1.452 CCC1CCN(CC1)C(=O)COC 527a_100000754474_100000210968 [0,2,0,0,0,0|2,0,0]=4 1157 B13R1.452 CCCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000210303 [0,2,0,0,0,0|2,0,0]=4 1158 B13R1.452 CCCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210303 [0,2,0,0,0,0|2,0,0]=4 1159 B13R1.452 CCN1CCC(CC1)C(=O)CCO 1458a_100015186486_100000211926 [0,2,0,0,0,0|2,0,0]=4 1160 B13R1.452 CCNC(=O)C1CCC(CC1)CO 240690a_100015525214_100011217856 [0,2,0,0,0,0|2,0,0]=4 1161 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 11a_100015525214_100000709782 [0,2,0,0,0,0|2,0,0]=4 1162 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 240690a_100015525214_100000709782 [0,2,0,0,0,0|2,0,0]=4 1163 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 527a_100015525214_100000709782 [0,2,0,0,0,0|2,0,0]=4 1164 B13R1.452 CCOC(=O)C1CCC(CC1)NC 270004a_106832991635_100000033286 [0,2,0,0,0,0|2,0,0]=4 1165 B13R1.452 CCOC(=O)C1CCC(CC1)OC 7a_100011219671_200000210301 [0,2,0,0,0,0|2,0,0]=4 1166 B13R1.452 CCOC(=O)C1CCC(CC1)O[13CH3] 7a_100011219671_200025704644 [0,2,0,0,0,0|2,0,0]=4 1167 B13R1.452 CCOC(=O)C1CCN(CC1)CC 2230a_100000210402_100000210202 [0,2,0,0,0,0|2,0,0]=4 1168 B13R1.452 CCOC(=O)C1CCN(CC1)CC 269982a_100000210402_100000204670 [0,2,0,0,0,0|2,0,0]=4 1169 B13R1.452 CCOC(=O)C1CCN(CC1)CF 269982a_100000210402_100015361967 [0,2,0,0,0,0|2,0,0]=4 1170 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)CC#N 1458a_100000709782_100011214920 [0,2,0,0,0,0|2,0,0]=4 1171 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100000709782_100011217306 [0,2,0,0,0,0|2,0,0]=4 1172 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100000709782_100000211926 [0,2,0,0,0,0|1,0,0]=3 1173 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)NNC 22a_100016993582_100000709782 [0,2,0,0,0,0|2,0,0]=4 1174 B13R1.452 CNNC(=O)C1CCC(CC1)CO 22a_100016993582_100011217856 [0,2,0,0,0,0|2,0,0]=4 1175 B13R1.452 COC1CCC(CC1)C(=O)CCO 1458a_100011215563_100000211926 [0,2,0,0,0,0|2,0,0]=4 1176 B13R1.452 COCC(=O)N1CCC(CC1)CF 11a_100015203933_100000210968 [0,2,0,0,0,0|2,0,0]=4 1177 B13R1.452 COCC(=O)N1CCC(CC1)CF 1626a_100015203933_100000210968 [0,2,0,0,0,0|2,0,0]=4 1178 B13R1.452 COCC(=O)N1CCC(CC1)CF 240690a_100015203933_100000210968 [0,2,0,0,0,0|2,0,0]=4 1179 B13R1.452 COCC(=O)N1CCC(CC1)CF 527a_100015203933_100000210968 [0,2,0,0,0,0|2,0,0]=4 1180 B13R1.452 COCC(=O)N1CCC(CC1)CO 240690a_100000738675_100000210968 [0,2,0,0,0,0|2,0,0]=4 1181 B13R1.452 COCC(=O)N1CCC(CC1)CO 527a_100000738675_100000210968 [0,2,0,0,0,0|2,0,0]=4 1182 B13R1.452 N#CCC(=O)C1CCC(CC1)CO 1458a_100011217856_100011214920 [0,2,0,0,0,0|2,0,0]=4 1183 B13R1.452 N#C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100132307125_100000211926 [0,2,0,0,0,0|0,0,2]=4 1184 B13R1.452 O=C(CCF)C1CCC(CC1)CO 1458a_100011217856_100011217306 [0,2,0,0,0,0|2,0,0]=4 1185 B13R1.452 O=C(CCO)C1CCC(CC1)CO 1458a_100011217856_100000211926 [0,2,0,0,0,0|1,0,0]=3 1186 B13R1.452 O=C(CCO)N1CCC(CC1)CF 240690a_100015203933_100011216618 [0,2,0,0,0,0|2,0,0]=4 1187 B13R1.452 O=C(CCO)N1CCC(CC1)CO 240690a_100000738675_100011216618 [0,2,0,0,0,0|2,0,0]=4 1188 B13R1.537 C#CC(C)N1CCC(CC1)C(=O)O 269956a_100000210459_200000035995 [0,2,0,0,0,0|2,0,0]=4 1189 B13R1.537 C=CC(C)N1CCC(CC1)C(=O)O 269956a_100000210459_100011215867 [0,2,0,0,0,0|2,0,0]=4 1190 B13R1.537 CC(C#N)N1CCC(CC1)C(=O)O 269956a_100000210459_100000184139 [0,2,0,0,0,0|1,0,1]=4 1191 B13R1.537 CC(C)C1CCN(CC1)C(=O)CO 240690a_100000762885_100000210174 [0,2,0,0,0,0|2,0,0]=4 1192 B13R1.537 CC(C)C1CCN(CC1)C(=O)CO 527a_100000762885_100000210174 [0,2,0,0,0,0|2,0,0]=4 1193 B13R1.537 CC(C)[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009816688_100015361967 [0,2,0,0,0,0|2,0,0]=4 1194 B13R1.537 CC(O)C1CCN(CC1)C(=O)CO 240690a_100011728446_100000210174 [0,2,0,0,0,0|2,0,0]=4 1195 B13R1.537 CC(O)C1CCN(CC1)C(=O)CO 527a_100011728446_100000210174 [0,2,0,0,0,0|2,0,0]=4 1196 B13R1.537 CCC(=O)[C@H]1CC[C@@H](CC1)C(C)C 1458a_100009816688_100000210202 [0,2,0,0,0,0|2,0,0]=4 1197 B13R1.537 CCC(C)N1CCC(CC1)C(=O)O 269956a_100000210459_100000758301 [0,2,0,0,0,0|2,0,0]=4 1198 B13R1.537 CNC(=O)[C@H]1CC[C@@H](CC1)C(C)C 11a_106832991635_100009816688 [0,2,0,0,0,0|2,0,0]=4 1199 B13R1.537 CNC(=O)[C@H]1CC[C@@H](CC1)C(C)C 1626a_100102657272_100009816688 [0,2,0,0,0,0|2,0,0]=4 1200 B13R1.537 CNC(=O)[C@H]1CC[C@@H](CC1)C(C)C 240690a_100102657272_100009816688 [0,2,0,0,0,0|2,0,0]=4 1201 B13R1.537 CNC(=O)[C@H]1CC[C@@H](CC1)C(C)C 527a_100102657272_100009816688 [0,2,0,0,0,0|2,0,0]=4 1202 B13R1.537 COC(=O)C1CCC(CC1)N(C)C 270004a_100102631434_100000760125 [0,2,0,0,0,0|2,0,0]=4 1203 B13R1.537 COC(=O)C1CCN(CC1)C(C)C 2230a_100000212072_100000210206 [0,2,0,0,0,0|2,0,0]=4 1204 B13R1.537 COC(=O)C1CCN(CC1)C(C)C 269982a_100000212072_100000210206 [0,2,0,0,0,0|2,0,0]=4 1205 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009820674_200000210301 [0,2,0,0,0,0|1,0,1]=4 1206 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009820674_200025704644 [0,2,0,0,0,0|1,0,1]=4 1207 B13R1.537 COC(C)N1CCC(CC1)C(=O)O 269956a_100000210459_100009879195 [0,2,0,0,0,0|2,0,0]=4 1208 B13R1.537 C[C@H](CO)N1CCC(CC1)C(=O)O 269956a_100000210459_100016084084 [0,2,0,0,0,0|2,0,0]=4 1209 B13R1.537 NC(=O)C1CCN(CC1)C(=O)CO 240690a_100000210938_100000210174 [0,2,0,0,0,0|1,0,1]=4 1210 B13R1.537 NC(=O)C1CCN(CC1)C(=O)CO 527a_100000210938_100000210174 [0,2,0,0,0,0|1,0,1]=4 1211 B13R1.537 NC(=S)C1CCN(CC1)C(=O)CO 240690a_200011935123_100000210174 [0,2,0,0,0,0|1,0,1]=4 1212 B13R1.537 NC(=S)C1CCN(CC1)C(=O)CO 527a_200011935123_100000210174 [0,2,0,0,0,0|1,0,1]=4 1213 B13R1.537 O=C(CO)N1CCC(CC1)C(F)F 240690a_100000689141_100000210174 [0,2,0,0,0,0|2,0,0]=4 1214 B13R1.537 O=C(CO)N1CCC(CC1)C(F)F 527a_100000689141_100000210174 [0,2,0,0,0,0|2,0,0]=4 1215 B13R1.2863 CCN1CCC(CC1)(C)C(=O)OC 2230a_100015186586_100000210202 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.2863 CCN1CCC(CC1)(C)C(=O)OC 269982a_100015186586_100000204670 [0,2,0,0,0,0|2,0,0]=4 1217 B13R1.2863 CCN1CCC(CC1)(C)C(=O)OC 34a_100015186586_100000210202 [0,2,0,0,0,0|2,0,0]=4 1218 B13R1.2863 CCN1CCC(CC1)(O)C(=O)OC 2230a_100000696052_100000210202 [0,2,0,0,0,0|2,0,0]=4 1219 B13R1.2863 CCN1CCC(CC1)(O)C(=O)OC 269982a_100000696052_100000204670 [0,2,0,0,0,0|2,0,0]=4 1220 B13R1.2863 CCN1CCC(CC1)(O)C(=O)OC 34a_100000696052_100000210202 [0,2,0,0,0,0|2,0,0]=4 1221 B13R1.2863 CNC1CCC(CC1)(C)C(=O)OC 270004a_106832991635_100009886682 [0,2,0,0,0,0|2,0,0]=4 1222 B13R1.2863 COC(=O)C1(CCN(CC1)CF)C 269982a_100015186586_100015361967 [0,2,0,0,0,0|2,0,0]=4 1223 B13R1.2863 COC(=O)C1(CCN(CC1)CF)C 34a_100015186586_100015361967 [0,2,0,0,0,0|2,0,0]=4 1224 B13R1.2863 COC(=O)C1(CCN(CC1)CF)O 269982a_100000696052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1225 B13R1.2863 COC(=O)C1(CCN(CC1)CF)O 34a_100000696052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1226 B13R1.4785 CC1(CCN(CC1)C(=O)CO)CO 240690a_100000697876_100000210174 [0,2,0,0,0,0|2,0,0]=4 1227 B13R1.4785 CC1(CCN(CC1)C(=O)CO)CO 527a_100000697876_100000210174 [0,2,0,0,0,0|2,0,0]=4 1228 B13R1.4785 CCC1(CCN(CC1)C(=O)CO)O 240690a_100000763344_100000210174 [0,2,0,0,0,0|2,0,0]=4 1229 B13R1.4785 CCC1(CCN(CC1)C(=O)CO)O 527a_100000763344_100000210174 [0,2,0,0,0,0|2,0,0]=4 1230 B13R1.4785 O=C(CO)N1CCC(CC1)(F)CO 240690a_100016990393_100000210174 [0,2,0,0,0,0|2,0,0]=4 1231 B13R1.4785 O=C(CO)N1CCC(CC1)(F)CO 527a_100016990393_100000210174 [0,2,0,0,0,0|2,0,0]=4 1232 B13R1.4785 O=C(CO)N1CCC(CC1)(O)CO 240690a_100012017390_100000210174 [0,2,0,0,0,0|2,0,0]=4 1233 B13R1.4785 O=C(CO)N1CCC(CC1)(O)CO 527a_100012017390_100000210174 [0,2,0,0,0,0|2,0,0]=4 1234 B13R1.338 CC(=O)C1CCC(CC1)C(C)(C)C 1458a_100000070787_200016002500 [0,2,0,0,0,0|2,0,0]=4 1235 B13R1.338 CC(=O)C1CCC(CC1)C(C)(C)C 1458a_100000210995_200000210301 [0,2,0,0,0,0|2,0,0]=4 1236 B13R1.338 CC(=O)C1CCC(CC1)C(F)(F)F 1458a_100011212054_200000210301 [0,2,0,0,0,0|2,0,0]=4 1237 B13R1.338 CC(C)(C)C1CCC(CC1)C(=O)[13CH3] 1458a_100000210995_200025704644 [0,2,0,0,0,0|2,0,0]=4 1238 B13R1.338 CC(C)(C)N1CCC(CC1)C(=O)O 269956a_100000210459_100000211941 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.338 O=C(O)C1CCN(CC1)C(F)(F)F 269956a_100000210459_200000243211 [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.338 [13CH3]C(=O)C1CCC(CC1)C(F)(F)F 1458a_100011212054_200025704644 [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.74 C#CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000688953 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.74 C#CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000184674 [0,2,0,0,0,0|1,0,0]=3 1243 B13R1.74 C/C=C/CN1CCC(CC1)C(=O)O 269956a_100000210459_100102629194 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.74 C=CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000754431 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.74 C=CCNC1CCC(CC1)C(=O)N 270004a_100020586998_200000102705 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.74 C=CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210623 [0,2,0,0,0,0|1,0,0]=3 1247 B13R1.74 CC#CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000748600 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.74 CC(=O)[C@H]1CC[C@@H](CC1)CN=[N+]=[N-] 1458a_202125607143_200000210301 [0,2,0,0,0,0|1,0,1]=4 1249 B13R1.74 CCCCC1CCC(CC1)C(=O)C 1458a_100000183790_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B13R1.74 CCCCC1CCC(CC1)C(=O)[13CH3] 1458a_100000183790_200025704644 [0,2,0,0,0,0|2,0,0]=4 1251 B13R1.74 CCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210211 [0,2,0,0,0,0|2,0,0]=4 1252 B13R1.74 CCCNC1CCC(CC1)C(=O)N 270004a_100020643023_200000102705 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.74 CCCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210207 [0,2,0,0,0,0|1,0,0]=3 1254 B13R1.74 CCNCC1CCN(CC1)C(=O)C 269862a_100015525214_100000062618 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.74 CCNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100000210202 [0,2,0,0,0,0|0,0,0]=2 1256 B13R1.74 CCOCN1CCC(CC1)C(=O)O 269956a_100000210459_100000739092 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.74 COCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000233755 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.74 COCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000766300 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.74 CSCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000212216 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.74 CSCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100011218213 [0,2,0,0,0,0|1,0,0]=3 1261 B13R1.74 N#CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100011215226 [0,2,0,0,0,0|1,0,1]=4 1262 B13R1.74 N#CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100011215382 [0,2,0,0,0,0|0,0,1]=3 1263 B13R1.74 N#CSCN1CCC(CC1)C(=O)O 269956a_100000210459_100000211825 [0,2,0,0,0,0|1,0,1]=4 1264 B13R1.74 NC(=O)C1CCC(CC1)NCCO 270004a_100000210304_200000102705 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.74 O=C(O)C1CCN(CC1)CCCF 269956a_100000210459_100011934791 [0,2,0,0,0,0|2,0,0]=4 1266 B13R1.74 O=C(O)C1CCN(CC1)CCCO 269956a_100000210459_100011215043 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)CNCF 269956a_100000694822_100015361967 [0,2,0,0,0,0|0,0,0]=2 1268 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCF 269956a_100009815960_100011217306 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCO 269956a_100009815960_100000211926 [0,2,0,0,0,0|1,0,0]=3 1270 B13R1.74 O=CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200015260668 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.74 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)CN=[N+]=[N-] 1458a_202125607143_200025704644 [0,2,0,0,0,0|1,0,1]=4 1272 B13R1.3457 C#CCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000184674 [0,2,0,0,0,0|2,0,0]=4 1273 B13R1.3457 C#CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000184674 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.3457 C=CCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000210623 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.3457 C=CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000210623 [0,2,0,0,0,0|2,0,0]=4 1276 B13R1.3457 CC1(CCN(CC1)CC#N)C(=O)O 269956a_100000699452_100011215382 [0,2,0,0,0,0|1,0,1]=4 1277 B13R1.3457 CC1(CCN(CC1)CC=O)C(=O)O 269956a_100000699452_200015260668 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.3457 CC1(CCN(CC1)CCF)C(=O)O 269956a_100000699452_100011217306 [0,2,0,0,0,0|2,0,0]=4 1279 B13R1.3457 CC1(CCN(CC1)CCO)C(=O)O 269956a_100000699452_100000211926 [0,2,0,0,0,0|2,0,0]=4 1280 B13R1.3457 CCCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000210207 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.3457 CCCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000210207 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.3457 COCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000766300 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.3457 COCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000766300 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.3457 CSCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100011218213 [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.3457 CSCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100011218213 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.3457 N#CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100011215382 [0,2,0,0,0,0|1,0,1]=4 1287 B13R1.3457 O=C(O)C1(CCN(CC1)CCF)F 269956a_100020586884_100011217306 [0,2,0,0,0,0|2,0,0]=4 1288 B13R1.3457 O=C(O)C1(CCN(CC1)CCO)F 269956a_100020586884_100000211926 [0,2,0,0,0,0|2,0,0]=4 1289 B13R1.3457 O=CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200015260668 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.8764 CC(C)N1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000210206 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.8764 CC(C)N1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000210206 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.2864 CCC1(CCN(CC1)CF)C(=O)O 269956a_100000698063_100015361967 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.2864 CCN1CCC(CC1)(CC)C(=O)O 269956a_100000698063_100000210202 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.2864 CCN1CCC(CC1)(OC)C(=O)O 269956a_100020589221_100000210202 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.2864 COC1(CCN(CC1)CF)C(=O)O 269956a_100020589221_100015361967 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [0,0,1,1,0,0|2,0,0]=4 1297 B11R1.43 O=C(O)CC1CCN(C1)CF 269956a_100000719201_100015361967 [0,0,1,1,0,0|2,0,0]=4 1298 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,1,1,0,0|2,0,0]=4 1299 B11R1.172 NC(=O)COCC1CCNC1 34a_100000748654_100000187820 [0,0,1,1,0,0|2,0,0]=4 1300 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,1,1,0,0|2,0,0]=4 1301 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,0,1,1,0,0|2,0,0]=4 1302 B11R1.172 O=C([O-])COCC1CCNC1 34a_100000748654_100020667443 [0,0,1,1,0,0|1,0,1]=4 1303 B11R1.407 CCC1(CO1)CNCC(=O)O 269956a_100016091260_200000139556 [0,0,1,1,0,0|2,0,0]=4 1304 B11R1.223 CC(CN)COC1CCC1=O 34a_100000744482_100009892977 [0,0,1,1,0,0|2,0,0]=4 1305 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,0,1,1,0,0|2,0,0]=4 1306 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,0,1,1,0,0|2,0,0]=4 1307 B11R1.332 CC(OCC1CNC1)C(=O)N 34a_100016987283_100000702099 [0,0,1,1,0,0|2,0,0]=4 1308 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,0,1,1,0,0|2,0,0]=4 1309 B11R1.332 C[C@H](NCC1COC1)C(=O)O 269956a_100000743915_100010264016 [0,0,1,1,0,0|2,0,0]=4 1310 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,1,1,0,0|2,0,0]=4 1311 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,1,1,0,0|2,0,0]=4 1312 B11R1.744 C[C@H](NCC1(CO1)C)C(=O)O 269956a_100000743915_100000760498 [0,0,1,1,0,0|2,0,0]=4 1313 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,1,1,0,0|2,0,0]=4 1314 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,1,1,0,0|2,0,0]=4 1315 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,0,1,1,0,0|2,0,0]=4 1316 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,0,1,1,0,0|2,0,0]=4 1317 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,0,1,1,0,0|2,0,0]=4 1318 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,0,1,1,0,0|2,0,0]=4 1319 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,0,1,1,0,0|2,0,0]=4 1320 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,0,1,1,0,0|2,0,0]=4 1321 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,0,1,1,0,0|2,0,0]=4 1322 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,0,1,1,0,0|2,0,0]=4 1323 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,0,1,1,0,0|2,0,0]=4 1324 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,0,1,1,0,0|1,0,0]=3 1325 B11R1.180 NOCCOC1CCOC1=O 34a_100000700252_100000211211 [0,0,1,1,0,0|2,0,0]=4 1326 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,0,1,1,0,0|2,0,0]=4 1327 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,0,1,1,0,0|2,0,0]=4 1328 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,0,1,1,0,0|2,0,0]=4 1329 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,0,1,1,0,0|2,0,0]=4 1330 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,0,1,1,0,0|2,0,0]=4 1331 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,0,1,1,0,0|2,0,0]=4 1332 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,0,1,1,0,0|2,0,0]=4 1333 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,0,1,1,0,0|2,0,0]=4 1334 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,0,1,1,0,0|2,0,0]=4 1335 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,1,1,0,0|2,0,0]=4 1336 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,0,1,1,0,0|2,0,0]=4 1337 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,0,1,1,0,0|2,0,0]=4 1338 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,0,1,1,0,0|2,0,0]=4 1339 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,0,1,1,0,0|2,0,0]=4 1340 B11R1.991 CCCCNC1(CC1)C(=O)O 269956a_100000746478_100000210211 [0,0,1,1,0,0|2,0,0]=4 1341 B11R1.991 CCCNCC1(CC1)C(=O)O 269956a_100000703410_100000210207 [0,0,1,1,0,0|2,0,0]=4 1342 B11R1.991 CCNCCC1(CC1)C(=O)O 269956a_100000690630_100000210202 [0,0,1,1,0,0|2,0,0]=4 1343 B11R1.991 NCCCOC1(CC1)C(=O)N 34a_100000182051_100010760883 [0,0,1,1,0,0|2,0,0]=4 1344 B11R1.991 O=C(O)C1(CC1)CCNCF 269956a_100000690630_100015361967 [0,0,1,1,0,0|2,0,0]=4 1345 B11R1.991 O=C(O)C1(CC1)CNCCF 269956a_100000703410_100011217306 [0,0,1,1,0,0|2,0,0]=4 1346 B11R1.991 O=C(O)C1(CC1)CNCCO 269956a_100000703410_100000211926 [0,0,1,1,0,0|2,0,0]=4 1347 B11R1.991 O=C(O)C1(CC1)NCCCF 269956a_100000746478_100011934791 [0,0,1,1,0,0|2,0,0]=4 1348 B11R1.991 O=C(O)C1(CC1)NCCCO 269956a_100000746478_100011215043 [0,0,1,1,0,0|2,0,0]=4 1349 B11R1.1016 CC[C@@H](NC1CCC1)C(=O)O 269956a_100000747097_100000749161 [0,0,1,1,0,0|2,0,0]=4 1350 B11R1.1017 CC[C@@H](NCC1CC1)C(=O)O 269956a_100000747097_100000742324 [0,0,1,1,0,0|2,0,0]=4 1351 B11R1.1017 CC[C@@H](NCC1CO1)C(=O)O 269956a_100000747097_102125554688 [0,0,1,1,0,0|2,0,0]=4 1352 B11R1.1017 CC[C@@H](NCC1CS1)C(=O)O 269956a_100000747097_100000031435 [0,0,1,1,0,0|2,0,0]=4 1353 B11R1.1017 CC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100000747097_100000745022 [0,0,1,1,0,0|2,0,0]=4 1354 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [0,0,1,1,0,0|2,0,0]=4 1355 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [0,0,1,1,0,0|2,0,0]=4 1356 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,0,1,1,0,0|2,0,0]=4 1357 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,0,1,1,0,0|2,0,0]=4 1358 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200000210301 [1,0,0,1,0,0|2,0,0]=4 1359 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200000210301 [1,0,0,1,0,0|2,0,0]=4 1360 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200000210301 [1,0,0,1,0,0|2,0,0]=4 1361 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200025704644 [1,0,0,1,0,0|2,0,0]=4 1362 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200025704644 [1,0,0,1,0,0|2,0,0]=4 1363 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200025704644 [1,0,0,1,0,0|2,0,0]=4 1364 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,1,1,0|2,0,0]=4 1365 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,1,1,0|2,0,0]=4 1366 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,1,1,0|2,0,0]=4 1367 B13R2.1533 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)OC 2230a_100103147422_100000210202 [0,1,0,1,0,0|2,0,0]=4 1368 B13R2.1533 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)OC 269982a_100103147422_100000204670 [0,1,0,1,0,0|2,0,0]=4 1369 B13R2.1533 CCN1C[C@@H]2[C@H](C1)[C@H]2C(=O)OC 34a_100103147422_100000210202 [0,1,0,1,0,0|2,0,0]=4 1370 B13R2.1533 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CF 269982a_100103147422_100015361967 [0,1,0,1,0,0|2,0,0]=4 1371 B13R2.1533 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CF 34a_100103147422_100015361967 [0,1,0,1,0,0|2,0,0]=4 1372 B13R2.9466 O=C(CO)N1CC2C(C2C1)CO 240690a_100000045132_100000210174 [0,1,0,1,0,0|2,0,0]=4 1373 B13R2.9466 O=C(CO)N1CC2C(C2C1)CO 527a_100000045132_100000210174 [0,1,0,1,0,0|2,0,0]=4 1374 B13R2.15286 CCC(=O)C1CCC2(CC1)CC2 1458a_100000103586_100000210202 [0,1,0,1,0,0|2,0,0]=4 1375 B13R2.15286 CNC(=O)C1CCC2(CC1)CC2 11a_106832991635_100000103586 [0,1,0,1,0,0|2,0,0]=4 1376 B13R2.15286 CNC(=O)C1CCC2(CC1)CC2 1626a_100102657272_100000103586 [0,1,0,1,0,0|2,0,0]=4 1377 B13R2.15286 CNC(=O)C1CCC2(CC1)CC2 240690a_100102657272_100000103586 [0,1,0,1,0,0|2,0,0]=4 1378 B13R2.15286 CNC(=O)C1CCC2(CC1)CC2 527a_100102657272_100000103586 [0,1,0,1,0,0|2,0,0]=4 1379 B13R2.15286 O=C(CF)C1CCC2(CC1)CC2 1458a_100000103586_100015361967 [0,1,0,1,0,0|2,0,0]=4 1380 B13R2.15286 O=C(CO)N1CCC2(CC1)CC2 240690a_100000755616_100000210174 [0,1,0,1,0,0|2,0,0]=4 1381 B13R2.15286 O=C(CO)N1CCC2(CC1)CC2 527a_100000755616_100000210174 [0,1,0,1,0,0|2,0,0]=4 1382 B13R2.15777 CCC(=O)C12CCC(CC1)CC2 1458a_100000687502_100000210202 [0,1,0,1,0,0|2,0,0]=4 1383 B13R2.15777 CNC(=O)C12CCC(CC1)CC2 11a_106832991635_100000687502 [0,1,0,1,0,0|2,0,0]=4 1384 B13R2.15777 CNC(=O)C12CCC(CC1)CC2 1626a_100102657272_100000687502 [0,1,0,1,0,0|2,0,0]=4 1385 B13R2.15777 CNC(=O)C12CCC(CC1)CC2 240690a_100102657272_100000687502 [0,1,0,1,0,0|2,0,0]=4 1386 B13R2.15777 CNC(=O)C12CCC(CC1)CC2 527a_100102657272_100000687502 [0,1,0,1,0,0|2,0,0]=4 1387 B13R2.15777 O=C(CF)C12CCC(CC1)CC2 1458a_100000687502_100015361967 [0,1,0,1,0,0|2,0,0]=4 1388 B13R2.428 O=C(O)C1CCN(CC1)C2CC2 269956a_100000210459_100000211595 [0,1,0,1,0,0|2,0,0]=4 1389 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,0,1,0,1,0|2,0,0]=4 1390 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,0,1,0,1,0|2,0,0]=4 1391 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,0,1,0,1,0|2,0,0]=4 1392 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,0,1,0,1,0|2,0,0]=4 1393 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,0,1,0|2,0,0]=4 1394 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,0,1,0|2,0,0]=4 1395 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,0,1,0|2,0,0]=4 1396 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,0,1,0|2,0,0]=4 1397 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,0,1,0|2,0,0]=4 1398 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,0,0,0,1,0|2,0,0]=4 1399 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,0,0,0,1,0|2,0,0]=4 1400 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,0,0,0,1,0|2,0,0]=4 1401 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,0,1,0|2,0,0]=4 1402 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,0,1,0|2,0,0]=4 1403 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,0,0,0,1,0|2,0,0]=4 1404 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,0,0,0,1,0|2,0,0]=4 1405 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,0,0,0,1,0|2,0,0]=4 1406 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,0,2,0|2,0,0]=4 1407 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,0,2,0|2,0,0]=4 1408 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,0,2,0|2,0,0]=4 1409 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,0,2,0|2,0,0]=4 1410 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,0,2,0|2,0,0]=4 1411 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,0,2,0|2,0,0]=4 1412 B11R0.22 CC(=O)CCCOC(CN)CN 34a_100000031598_100000685027 [0,0,1,0,0,1|2,0,0]=4 1413 B11R0.22 CCC(CC)CNCCC(=O)N 2230a_100102946423_100000744528 [0,0,1,0,0,1|2,0,0]=4 1414 B11R0.22 CCC(CC)CNCCC(=O)N 269862a_100000740010_100000211137 [0,0,1,0,0,1|2,0,0]=4 1415 B11R0.22 CCC(CC)CNOCC(=O)O 269956a_100000106656_100011215472 [0,0,1,0,0,1|2,0,0]=4 1416 B11R0.22 CCC(CC)COCCC(=O)C 34a_100000759926_100011215472 [0,0,1,0,0,1|2,0,0]=4 1417 B11R0.22 CCC(CC)COCCC(=O)C 7a_100000703878_100000053229 [0,0,1,0,0,1|2,0,0]=4 1418 B11R0.22 CCC(CC)COCCC(=O)C 7a_100000759926_100011215472 [0,0,1,0,0,1|2,0,0]=4 1419 B11R0.22 CCC(CC)COCCC(=O)N 34a_100000757172_100011215472 [0,0,1,0,0,1|2,0,0]=4 1420 B11R0.22 CCC(CC)COCCC(=O)N 7a_100000703878_100000744528 [0,0,1,0,0,1|2,0,0]=4 1421 B11R0.22 CCC(CC)COCCC(=O)N 7a_100000757172_100011215472 [0,0,1,0,0,1|2,0,0]=4 1422 B11R0.22 CCC(CC)CSCCC(=O)C 62a_100000053229_100011215472 [0,0,1,0,0,1|2,0,0]=4 1423 B11R0.22 CCC(CC)CSCCC(=O)C 62a_100011215472_100000053229 [0,0,1,0,0,1|2,0,0]=4 1424 B11R0.22 CCC(CC)CSCCC(=O)N 62a_100000744528_100011215472 [0,0,1,0,0,1|2,0,0]=4 1425 B11R0.22 CCC(CC)CSCCC(=O)N 62a_100011215472_100000744528 [0,0,1,0,0,1|2,0,0]=4 1426 B11R0.22 CCC(CC)OCCCC(=O)C 7a_100000688536_100011215641 [0,0,1,0,0,1|2,0,0]=4 1427 B11R0.22 CCC(CC)OCCCC(=O)C 7a_100000759063_100000210505 [0,0,1,0,0,1|2,0,0]=4 1428 B11R0.22 CCC(CC)OCCCC(=O)N 7a_100000688536_100102525003 [0,0,1,0,0,1|2,0,0]=4 1429 B11R0.22 CCC(CC)SCCCC(=O)C 62a_100000210505_100011215641 [0,0,1,0,0,1|2,0,0]=4 1430 B11R0.22 CCC(CC)SCCCC(=O)C 62a_100011215641_100000210505 [0,0,1,0,0,1|2,0,0]=4 1431 B11R0.22 CCC(CC)SCCCC(=O)N 62a_100000210505_100102525003 [0,0,1,0,0,1|2,0,0]=4 1432 B11R0.22 CCC(CC)SCCCC(=O)N 62a_100102525003_100000210505 [0,0,1,0,0,1|2,0,0]=4 1433 B11R0.22 CCN(CC)CCNCC(=O)O 269956a_100016091260_100000700428 [0,0,1,0,0,1|2,0,0]=4 1434 B11R0.22 NCC(CN)OCCCC(=O)N 34a_100000031598_100102525003 [0,0,1,0,0,1|2,0,0]=4 1435 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 34a_100000032740_100000059175 [0,0,1,0,0,1|2,0,0]=4 1436 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 7a_100000032740_100000059175 [0,0,1,0,0,1|2,0,0]=4 1437 B11R0.109 CC(=O)C(C)NCCC(C)CO 2230a_106354213184_100009814033 [0,0,1,0,0,1|2,0,0]=4 1438 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,0,1,0,0,1|2,0,0]=4 1439 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,0,1,0,0,1|1,0,0]=3 1440 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,0,1,0,0,1|2,0,0]=4 1441 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,0,1,0,0,1|2,0,0]=4 1442 B11R0.109 CC(CO)CCNC(C)C(=O)N 2230a_106354213184_100000702099 [0,0,1,0,0,1|2,0,0]=4 1443 B11R0.109 CC(CO)CCNC(C)C(=O)N 34a_106354213184_100000702099 [0,0,1,0,0,1|2,0,0]=4 1444 B11R0.109 CCC(C)CCNC(C)C(=O)C 2230a_100020591266_100009814033 [0,0,1,0,0,1|2,0,0]=4 1445 B11R0.109 CCC(C)CCNC(C)C(=O)N 2230a_100020591266_100000702099 [0,0,1,0,0,1|2,0,0]=4 1446 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,0,1,0,0,1|2,0,0]=4 1447 B11R0.109 CCC(C)CCOC(C)C(=O)N 7a_100011215188_100000702099 [0,0,1,0,0,1|2,0,0]=4 1448 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,0,1,0,0,1|1,0,0]=3 1449 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,0,1,0,0,1|2,0,0]=4 1450 B11R0.109 CCC(C)COCC(C)C(=O)C 34a_100000032740_100000748023 [0,0,1,0,0,1|2,0,0]=4 1451 B11R0.109 CCC(C)COCC(C)C(=O)C 7a_100000032740_100000748023 [0,0,1,0,0,1|2,0,0]=4 1452 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,0,1,0,0,1|2,0,0]=4 1453 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,0,1,0,0,1|1,0,0]=3 1454 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,0,1,0,0,1|2,0,0]=4 1455 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 34a_100000032740_100009816398 [0,0,1,0,0,1|2,0,0]=4 1456 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 7a_100000032740_100009816398 [0,0,1,0,0,1|2,0,0]=4 1457 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,0,1,0,0,1|2,0,0]=4 1458 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,0,1,0,0,1|2,0,0]=4 1459 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,0,1,0,0,1|2,0,0]=4 1460 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,0,1,0,0,1|2,0,0]=4 1461 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,0,1,0,0,1|2,0,0]=4 1462 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,0,1,0,0,1|2,0,0]=4 1463 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,0,1,0,0,1|2,0,0]=4 1464 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [1,0,0,0,0,1|1,0,1]=4 1465 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [1,0,0,0,0,1|1,0,0]=3 1466 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [1,0,0,0,0,1|2,0,0]=4 1467 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [1,0,0,0,0,1|2,0,0]=4 1468 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [1,0,0,0,0,1|2,0,0]=4 1469 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [1,0,0,0,0,1|2,0,0]=4 1470 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [1,0,0,0,0,1|2,0,0]=4 1471 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [1,0,0,0,0,1|2,0,0]=4 1472 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [1,0,0,0,0,1|2,0,0]=4 1473 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [1,0,0,0,0,1|2,0,0]=4 1474 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [1,0,0,0,0,1|2,0,0]=4 1475 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [1,0,0,0,0,1|2,0,0]=4 1476 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [1,0,0,0,0,1|1,0,0]=3 1477 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [1,0,0,0,0,1|1,0,0]=3 1478 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [1,0,0,0,0,1|1,0,0]=3 1479 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [1,0,0,0,0,1|2,0,0]=4 1480 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [1,0,0,0,0,1|2,0,0]=4 1481 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [1,0,0,0,0,1|1,0,1]=4 1482 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [1,0,0,0,0,1|1,0,0]=3 1483 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [1,0,0,0,0,1|2,0,0]=4 1484 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [1,0,0,0,0,1|2,0,0]=4 1485 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [1,0,0,0,0,1|2,0,0]=4 1486 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [1,0,0,0,0,1|2,0,0]=4 1487 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [1,0,0,0,0,1|1,0,1]=4 1488 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [1,0,0,0,0,1|1,0,1]=4 1489 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [1,0,0,0,0,1|2,0,0]=4 1490 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [1,0,0,0,0,1|2,0,0]=4 1491 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [1,0,0,0,0,1|2,0,0]=4 1492 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [1,0,0,0,0,1|2,0,0]=4 1493 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [1,0,0,0,0,1|2,0,0]=4 1494 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [1,0,0,0,0,1|2,0,0]=4 1495 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [1,0,0,0,0,1|2,0,0]=4 1496 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [1,0,0,0,0,1|2,0,0]=4 1497 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,0,0,0,1,1|2,0,0]=4 1498 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,0,0,0,1,1|2,0,0]=4 1499 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 240690a_100121570882_100015343762 [0,0,0,0,0,2|2,0,0]=4 1500 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 527a_100121570882_100103153847 [0,0,0,0,0,2|2,0,0]=4 1501 B13R1.3 CCC1CCC(CC1)NCC(=O)N 2230a_100011194317_100000747473 [0,0,0,0,0,2|2,0,0]=4 1502 B13R1.3 CCC1CCC(CC1)NCC(=O)N 34a_100011194317_100000187820 [0,0,0,0,0,2|2,0,0]=4 1503 B13R1.3 CCC1CCC(CC1)NCC(=O)[O-] 34a_100011194317_100020667443 [0,0,0,0,0,2|1,0,1]=4 1504 B13R1.3 CCC1CCC(CC1)OCC(=O)N 34a_100011215326_100000187820 [0,0,0,0,0,2|2,0,0]=4 1505 B13R1.3 CCC1CCC(CC1)OCC(=O)N 7a_100011215326_100000187820 [0,0,0,0,0,2|2,0,0]=4 1506 B13R1.3 CCC1CCC(CC1)OCC(=O)[O-] 34a_100011215326_100020667443 [0,0,0,0,0,2|1,0,1]=4 1507 B13R1.3 NC(=O)CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000187820 [0,0,0,0,0,2|2,0,0]=4 1508 B13R1.3 O=C([O-])CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100020667443 [0,0,0,0,0,2|1,0,1]=4