0 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.13 C=C1CCC(CC1)N(C)C 270004a_100102631434_100010272673 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,0,0,0|0,0,2]=2 11 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,0,0,0|0,0,2]=2 35 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,0|0,0,4]=4 36 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,0,0,0,0,0|1,0,3]=4 43 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,0,0,0,0,0|1,0,3]=4 44 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,0,0,0,0,0|1,0,3]=4 45 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,0,0,0,0,0|1,0,3]=4 46 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,0,0,0,0,0|1,0,3]=4 47 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,0,0,0,0,0|1,0,3]=4 48 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,0,0,0|0,0,0]=0 49 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 2230a_100011226131_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 269982a_100011226131_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,0,0,0,0,0|1,0,1]=2 61 B10R1.13 CN1CCC(CC1)C(=S)N 2230a_200011935123_200000210301 [0,0,0,0,0,0|2,1,1]=4 62 B10R1.13 CN1CCC(CC1)C(=S)N 269982a_200011935123_200000210301 [0,0,0,0,0,0|2,1,1]=4 63 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100011226131_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100025768347_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100011226131_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100025768347_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100102631434_100011215917 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 CN1CCC(CC1)N(C)C 270004a_100102631434_100000210137 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 2230a_100025768347_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 269982a_100025768347_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200000210301 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.13 CN1CCN(CC1)C(=O)N 269982a_100000737871_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,0,0,0|0,0,2]=2 75 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,0|0,0,4]=4 76 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,0,0,0,0,0|1,0,2]=3 79 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,0,0,0,0,0|2,0,1]=3 81 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 2230a_200011935123_200025704644 [0,0,0,0,0,0|2,1,1]=4 84 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 269982a_200011935123_200025704644 [0,0,0,0,0,0|2,1,1]=4 85 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200025704644 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.13 [13CH3]N1CCN(CC1)C(=O)N 269982a_100000737871_200025704644 [0,0,0,0,0,0|3,0,1]=4 88 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.1 CC1=CCN(CC1)CF 269982a_100000693516_100015361967 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 CC1=CCN(CC1)CF 34a_100000693516_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,0,0,0,0,0|1,0,2]=4 116 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,0,0,0,0,0|1,0,2]=4 117 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,0,0,0|0,0,2]=3 139 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,0,0,0|0,0,2]=3 140 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,0,0,0|0,0,2]=3 141 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,0,0,0|1,0,2]=4 142 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,0,0,0|1,0,1]=3 143 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,0,0,0|1,0,1]=3 144 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,0,0,0|1,0,1]=3 147 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,0,0,0|0,0,0]=1 162 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,0,0,0|0,0,2]=3 166 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,0,0,0|1,0,1]=3 168 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,0,0,0|1,0,1]=3 169 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,0,0,0|1,0,1]=3 170 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,0,0,0|0,0,0]=1 172 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.3 CC(=O)N1CCC(CC1)CF 11a_100015203933_100015343762 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.3 CC(=O)N1CCC(CC1)CF 1626a_100015203933_100015343762 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.3 CC(=O)N1CCC(CC1)CF 240690a_100015203933_100015343762 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.3 CC(=O)N1CCC(CC1)CF 527a_100015203933_100103153847 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.3 CC(=O)N1CCC(CC1)CO 240690a_100000738675_100015343762 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.3 CC(=O)N1CCC(CC1)CO 527a_100000738675_100103153847 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.3 CC(=O)N1CCC(CC1)N[13CH3] 2230a_100000203771_200025704644 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.3 CC(=O)N1CCC(CC1)O[13CH3] 7a_100000194330_200025704644 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.3 CC(=O)N1CCC(CC1)S[13CH3] 62a_200025704644_100011863393 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.3 CC(=O)N1CCN(CC1)CF 269982a_100000210354_100015361967 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,1,0,0,0,0|0,0,3]=4 184 B11R1.3 CCC1CCN(CC1)C(=O)C 11a_100000754474_100015343762 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.3 CCC1CCN(CC1)C(=O)C 1626a_100000754474_100015343762 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.3 CCC1CCN(CC1)C(=O)C 240690a_100000754474_100015343762 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.3 CCC1CCN(CC1)C(=O)C 527a_100000754474_100103153847 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.3 CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210202 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.3 CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000204670 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.3 CCN1CCC(CC1)C(=O)N 34a_100000210938_100000210202 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.3 CCN1CCN(CC1)C(=O)C 11a_100000210033_100015343762 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.3 CCN1CCN(CC1)C(=O)C 2230a_100000210354_100000210202 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.3 CCN1CCN(CC1)C(=O)C 240690a_100000210033_100015343762 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.3 CCN1CCN(CC1)C(=O)C 269982a_100000210354_100000204670 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.3 CCN1CCN(CC1)C(=O)C 527a_100000210033_100103153847 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,1,0,0,0,0|0,0,2]=3 200 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,1,0,0,0,0|0,0,2]=3 201 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.3 CNC1CCN(CC1)C(=O)C 2230a_100000203771_200000210301 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.3 CNC1CCN(CC1)C(=O)C 270004a_106832991635_100000162417 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,1,0,0,0,0|0,0,2]=3 206 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,1,0,0,0,0|0,0,2]=3 207 B11R1.3 COC1CCN(CC1)C(=O)C 11a_100000234800_100015343762 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.3 COC1CCN(CC1)C(=O)C 1626a_100000234800_100015343762 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.3 COC1CCN(CC1)C(=O)C 240690a_100000234800_100015343762 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.3 COC1CCN(CC1)C(=O)C 527a_100000234800_100103153847 [0,1,0,0,0,0|1,0,2]=4 211 B11R1.3 COC1CCN(CC1)C(=O)C 7a_100000194330_200000210301 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.3 CSC1CCN(CC1)C(=O)C 11a_100015202541_100015343762 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.3 CSC1CCN(CC1)C(=O)C 1626a_100015202541_100015343762 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.3 CSC1CCN(CC1)C(=O)C 240690a_100015202541_100015343762 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.3 CSC1CCN(CC1)C(=O)C 527a_100015202541_100103153847 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.3 CSC1CCN(CC1)C(=O)C 62a_200000210301_100011863393 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.3 NC(=O)C1CCN(CC1)CF 269982a_100000210938_100015361967 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.3 NC(=O)C1CCN(CC1)CF 34a_100000210938_100015361967 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,1,0,0,0,0|0,0,3]=4 222 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.19 CC1=CCN(CC1)C(C)(C)C 269982a_100000693516_100000210625 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.19 CC1=CCN(CC1)C(C)(C)C 34a_100000693516_100000210625 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.19 CC1=CCN(CC1)S(=O)(=O)C 40a_100000693516_100000738038 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.19 CN1CCC(CC1)S(=O)(=O)C 2230a_100000688224_200000210301 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.19 CN1CCC(CC1)S(=O)(=O)C 269982a_100000688224_200000210301 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.19 CN1CCC(CC1)S(=O)(=O)C 34a_100000688224_200000210301 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.19 CS(=O)(=O)C1CCN(CC1)[13CH3] 2230a_100000688224_200025704644 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.19 CS(=O)(=O)C1CCN(CC1)[13CH3] 269982a_100000688224_200025704644 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.19 CS(=O)(=O)C1CCN(CC1)[13CH3] 34a_100000688224_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.21 CC(=O)N1CCC(C(C1)O)C 11a_100000696640_100015343762 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.21 CC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100015343762 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.21 CC(=O)N1CCC(C(C1)O)C 527a_100000696640_100103153847 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 11a_100000187256_100015343762 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 1626a_100000187256_100015343762 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 240690a_100000187256_100015343762 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 527a_100000187256_100103153847 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 11a_100020603432_100015343762 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 2230a_100025716311_200000210301 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 240690a_100020603432_100015343762 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 269982a_100025716311_200000210301 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 527a_100020603432_100103153847 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.21 CC(=O)N1CCN([C@H](C1)C)[13CH3] 2230a_100025716311_200025704644 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.21 CC(=O)N1CCN([C@H](C1)C)[13CH3] 269982a_100025716311_200025704644 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [0,1,0,0,0,0|0,0,3]=4 251 B11R1.22 C#CC(C)N1CC=C(CC1)C 34a_100000693516_200000035995 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.22 C=C1CCC(CC1)C(=O)CC 1458a_200000138047_100000210202 [0,1,0,0,0,0|0,0,2]=3 253 B11R1.22 C=C1CCC(CC1)C(=O)CF 1458a_200000138047_100015361967 [0,1,0,0,0,0|0,0,2]=3 254 B11R1.22 C=C1CCC(CC1)C(=O)NC 11a_106832991635_200000138047 [0,1,0,0,0,0|0,0,2]=3 255 B11R1.22 C=C1CCC(CC1)C(=O)NC 1626a_100102657272_200000138047 [0,1,0,0,0,0|0,0,2]=3 256 B11R1.22 C=C1CCC(CC1)C(=O)NC 240690a_100102657272_200000138047 [0,1,0,0,0,0|0,0,2]=3 257 B11R1.22 C=C1CCC(CC1)C(=O)NC 527a_100102657272_200000138047 [0,1,0,0,0,0|0,0,2]=3 258 B11R1.22 C=C1CCN(CC1)C(=O)CC 11a_100000752442_100000210414 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.22 C=C1CCN(CC1)C(=O)CC 1626a_100000752442_100000210414 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.22 C=C1CCN(CC1)C(=O)CC 240690a_100000752442_100000210414 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.22 C=C1CCN(CC1)C(=O)CC 527a_100000752442_100000210414 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.22 C=C1CCN(CC1)C(=O)CO 240690a_100000752442_100000210174 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.22 C=C1CCN(CC1)C(=O)CO 527a_100000752442_100000210174 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.22 C=C1CCN(CC1)C(=O)NC 2708a_100102657272_100000752442 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.22 C=C1CCN(CC1)C(=O)NC 273464a_100102657272_100000752442 [0,1,0,0,0,0|1,0,2]=4 266 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,1,0,0,0,0|0,0,3]=4 267 B11R1.22 C=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100000185746 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.22 C=CC(=O)N1CC=C(CC1)C 240690a_100000693516_200121576911 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.22 C=CC(C)N1CC=C(CC1)C 269982a_100000693516_100011215867 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.22 CC1=CCC(CC1)C(=O)CF 1458a_100000137427_100015361967 [0,1,0,0,0,0|0,0,0]=1 271 B11R1.22 CC1=CCN(CC1)C(=O)CO 240690a_100000693516_100000210174 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.22 CC1=CCN(CC1)C(=O)CO 527a_100000693516_100000210174 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.22 CC1=CCN(CC1)C(C)C#N 2230a_100000693516_100000184139 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.22 CC1=CCN(CC1)C(C)C#N 269982a_100000693516_100000703298 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.22 CC1=CCN(CC1)C(C)CO 2230a_100000693516_100012180447 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.22 CC1=CCN(CC1)C(C)CO 34a_100000693516_100012180447 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.22 CC1=CCN(CC1)[C@H](C)CO 269982a_100000693516_100016084084 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,0,0,0|0,0,2]=3 279 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [0,1,0,0,0,0|0,0,0]=1 282 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,1,0,0,0,0|0,0,2]=3 284 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.22 CCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210414 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.22 CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210414 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.22 CCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210414 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.22 CCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210414 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.22 CCC(=O)N1CCN(CC1)C 11a_100000188432_100000210414 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.22 CCC(=O)N1CCN(CC1)C 2230a_100000749825_200000210301 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.22 CCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210414 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.22 CCC(=O)N1CCN(CC1)C 269982a_100000749825_200000210301 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.22 CCC(=O)N1CCN(CC1)C 527a_100000188432_100000210414 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 2230a_100000749825_200025704644 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 269982a_100000749825_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,1,0,0,0,0|0,0,2]=3 300 B11R1.22 CCC(C)N1CC=C(CC1)C 2230a_100000693516_100000758301 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.22 CCC(C)N1CC=C(CC1)C 269982a_100000693516_100000758301 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.22 CCC(C)N1CC=C(CC1)C 34a_100000693516_100011215416 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [0,1,0,0,0,0|1,0,1]=3 304 B11R1.22 CN1CCN(CC1)C(=O)CO 240690a_100000188432_100000210174 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.22 CN1CCN(CC1)C(=O)CO 527a_100000188432_100000210174 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.22 CNC(=O)C1CC=C(CC1)C 11a_106832991635_100000137427 [0,1,0,0,0,0|0,0,0]=1 307 B11R1.22 CNC(=O)C1CC=C(CC1)C 1626a_100102657272_100000137427 [0,1,0,0,0,0|0,0,0]=1 308 B11R1.22 CNC(=O)C1CC=C(CC1)C 240690a_100102657272_100000137427 [0,1,0,0,0,0|0,0,0]=1 309 B11R1.22 CNC(=O)C1CC=C(CC1)C 527a_100102657272_100000137427 [0,1,0,0,0,0|0,0,0]=1 310 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [0,1,0,0,0,0|1,0,2]=4 317 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [0,1,0,0,0,0|1,0,1]=3 324 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.22 CNC(=O)N1CC=C(CC1)C 2708a_100102657272_100000693516 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.22 CNC(=O)N1CC=C(CC1)C 273464a_100102657272_100000693516 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.22 CNC(=O)N1CCN(CC1)C 2708a_100102657272_100000188432 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.22 CNC(=O)N1CCN(CC1)C 273464a_100102657272_100000188432 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,1,0,0,0,0|0,0,2]=3 332 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,1,0,0,0,0|0,0,2]=3 333 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,1,0,0,0,0|0,0,2]=3 334 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,1,0,0,0,0|0,0,2]=3 335 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [0,1,0,0,0,0|1,0,1]=3 337 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,1,0,0,0,0|1,0,1]=3 338 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,1,0,0,0,0|1,0,1]=3 339 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,1,0,0,0,0|1,0,1]=3 341 B11R1.22 COC(=O)N1CCN(CC1)C 2230a_100000742817_200000210301 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.22 COC(=O)N1CCN(CC1)C 269982a_100000742817_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 2230a_100000742817_200025704644 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 269982a_100000742817_200025704644 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.22 COC(C)N1CC=C(CC1)C 269982a_100000693516_100009879195 [0,1,0,0,0,0|1,0,2]=4 346 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,1,0,0,0,0|0,0,2]=3 347 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [0,1,0,0,0,0|1,0,2]=4 348 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.166 CC(=O)C1CCC(=O)NC1=O 1458a_100000070787_100000694648 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 11a_100012002466_100015343762 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 240690a_100012002466_100015343762 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 527a_100012002466_100103153847 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.220 CC(=O)C1(COC(=O)OC1)C 1458a_100000145666_200000210301 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.220 CC1(COC(=O)OC1)C(=O)[13CH3] 1458a_100000145666_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,1,0,0,0,0|1,0,1]=3 360 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [0,1,0,0,0,0|1,0,2]=4 362 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [0,1,0,0,0,0|1,0,2]=4 363 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.727 CC(=O)C1COC(OC1)(C)C 1458a_100009873362_200000210301 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.727 CC(=O)N1CCC(CC1)(C)C 11a_100000750138_100015343762 [0,1,0,0,0,0|1,0,2]=4 366 B11R1.727 CC(=O)N1CCC(CC1)(C)C 1626a_100000750138_100015343762 [0,1,0,0,0,0|1,0,2]=4 367 B11R1.727 CC(=O)N1CCC(CC1)(C)C 240690a_100000750138_100015343762 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.727 CC(=O)N1CCC(CC1)(C)C 527a_100000750138_100103153847 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.727 CC(=O)N1CCC(CC1)(C)O 240690a_100000690209_100015343762 [0,1,0,0,0,0|1,0,2]=4 370 B11R1.727 CC(=O)N1CCC(CC1)(C)O 527a_100000690209_100103153847 [0,1,0,0,0,0|1,0,2]=4 371 B11R1.727 CC(=O)N1CC[Si](CC1)(C)C 11a_100025715224_100015343762 [0,1,0,0,0,0|1,1,1]=4 372 B11R1.727 CC(=O)N1CC[Si](CC1)(C)C 1626a_100025715224_100015343762 [0,1,0,0,0,0|1,1,1]=4 373 B11R1.727 CC(=O)N1CC[Si](CC1)(C)C 240690a_100025715224_100015343762 [0,1,0,0,0,0|1,1,1]=4 374 B11R1.727 CC(=O)N1CC[Si](CC1)(C)C 527a_100025715224_100103153847 [0,1,0,0,0,0|1,1,1]=4 375 B11R1.727 CC1(OCC(CO1)C(=O)[13CH3])C 1458a_100009873362_200025704644 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [0,1,0,0,0,0|1,0,2]=4 377 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,0,1,0,0,0|1,0,2]=4 379 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,0,1,0,0,0|2,0,1]=4 380 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,0,1,0,0,0|2,0,1]=4 381 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,1,0,0,0|2,0,1]=4 382 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,1,0,0,0|2,0,1]=4 383 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,0,1,0,0,0|2,0,1]=4 384 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,0,1,0,0,0|2,0,1]=4 385 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,1,0,0,0|1,0,1]=3 386 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,1,0,0,0|2,0,1]=4 387 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,1,0,0,0|2,0,1]=4 388 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,1,0,0,0|2,0,1]=4 389 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,1,0,0,0|2,0,1]=4 390 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,1,0,0,0|2,0,1]=4 391 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,1,0,0,0|2,0,1]=4 392 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,0,1,0,0,0|1,0,2]=4 393 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,1,0,0,0|2,0,1]=4 394 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,0,1,0,0,0|3,0,0]=4 395 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,0,1,0,0,0|2,0,1]=4 396 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,0,1,0,0,0|2,0,1]=4 397 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,0,1,0,0,0|2,0,1]=4 398 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,0,1,0,0,0|2,0,1]=4 399 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,0,1,0,0,0|2,0,1]=4 400 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,0,1,0,0,0|2,0,1]=4 401 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,1,0,0,0|2,0,1]=4 402 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,1,0,0,0|1,0,1]=3 403 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,1,0,0,0|2,0,1]=4 404 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,1,0,0,0|2,0,1]=4 405 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,1,0,0,0|2,0,1]=4 406 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,1,0,0,0|2,0,1]=4 407 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,1,0,0,0|2,0,1]=4 408 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,1,0,0,0|3,0,0]=4 409 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,1,0,0,0|3,0,0]=4 410 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,1,0,0,0|3,0,0]=4 411 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,0,1,0,0,0|2,0,1]=4 412 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,1,0,0,0|1,0,2]=4 413 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,1,0,0,0|1,0,2]=4 414 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,1,0,0,0|1,0,2]=4 415 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,1,0,0,0|1,0,2]=4 416 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,1,0,0,0|1,0,2]=4 417 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,0,1,0,0,0|2,0,1]=4 418 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,1,0,0,0|1,0,1]=3 419 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,1,0,0,0|1,0,1]=3 420 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,1,0,0,0|1,0,1]=3 421 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,0,1,0,0,0|2,0,1]=4 422 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,0,1,0,0,0|2,0,1]=4 423 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,0,1,0,0,0|2,0,1]=4 424 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,1,0,0,0|1,0,1]=3 425 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,1,0,0,0|1,0,1]=3 426 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,0,1,0,0,0|2,0,1]=4 427 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,0,1,0,0,0|2,0,1]=4 428 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,0,1,0,0,0|2,0,1]=4 429 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,0,1,0,0,0|2,0,1]=4 430 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,1,0,0,0|1,0,1]=3 431 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,1,0,0,0|1,0,1]=3 432 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,0,1,0,0,0|2,0,1]=4 433 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,1,0,0,0|2,0,1]=4 434 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,1,0,0,0|2,0,1]=4 435 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,1,0,0,0|2,0,1]=4 436 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,0,1,0,0,0|2,0,1]=4 437 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,1,0,0,0|1,0,2]=4 438 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,0,1,0,0,0|3,0,0]=4 439 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,1,0,0,0|2,0,0]=3 440 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,1,0,0,0|3,0,0]=4 441 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,1,0,0,0|3,0,0]=4 442 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,1,0,0,0|3,0,0]=4 443 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,1,0,0,0|3,0,0]=4 444 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,1,0,0,0|3,0,0]=4 445 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,1,0,0,0|3,0,0]=4 446 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,1,0,0,0|3,0,0]=4 447 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,1,0,0,0|3,0,0]=4 448 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,1,0,0,0|3,0,0]=4 449 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,0,1,0,0,0|3,0,0]=4 450 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,1,0,0,0|3,0,0]=4 451 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,1,0,0,0|2,0,0]=3 452 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,1,0,0,0|2,0,0]=3 453 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,1,0,0,0|2,0,0]=3 454 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,1,0,0,0|3,0,0]=4 455 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,1,0,0,0|3,0,0]=4 456 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,1,0,0,0|3,0,0]=4 457 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,1,0,0,0|3,0,0]=4 458 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,1,0,0,0|2,0,1]=4 459 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,1,0,0,0|2,0,1]=4 460 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,1,0,0,0|2,0,1]=4 461 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,0,1,0,0,0|2,0,1]=4 462 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,0,1,0,0,0|2,0,1]=4 463 B9R0.7 C=C(C)CCC(C)N(C)C 270004a_100102631434_100011215600 [0,0,1,0,0,0|2,0,0]=3 464 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,0,1,0,0,0|2,0,1]=4 465 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,0,1,0,0,0|2,0,1]=4 466 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,1,0,0,0|2,0,0]=3 467 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,0,1,0,0,0|2,0,0]=3 468 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,0,1,0,0,0|2,0,0]=3 469 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,1,0,0,0|1,0,0]=2 470 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,0,1,0,0,0|2,0,0]=3 471 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,0,1,0,0,0|2,0,1]=4 472 B9R0.7 C=C(C)COC(F)C(=O)N 34a_100000210245_100009813875 [0,0,1,0,0,0|3,0,0]=4 473 B9R0.7 C=C(C)COC(F)C(=O)[O-] 34a_100000210245_100020610796 [0,0,1,0,0,0|3,0,0]=4 474 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,0,1,0,0,0|2,0,0]=3 475 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,0,1,0,0,0|2,0,0]=3 476 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,0,1,0,0,0|2,0,0]=3 477 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,1,0,0,0|1,0,0]=2 478 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,1,0,0,0|1,0,0]=2 479 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,0,1,0,0,0|2,0,0]=3 480 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,0,1,0,0,0|2,0,0]=3 481 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100000748629_100009813875 [0,0,1,0,0,0|3,0,0]=4 482 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100009813875_100000211660 [0,0,1,0,0,0|3,0,0]=4 483 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100000748629_100020610796 [0,0,1,0,0,0|3,0,0]=4 484 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100020610796_100000211660 [0,0,1,0,0,0|3,0,0]=4 485 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,1,0,0,0|3,0,0]=4 486 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 2230a_100000119354_100009893438 [0,0,1,0,0,0|3,0,0]=4 487 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 34a_100000119354_100009893438 [0,0,1,0,0,0|3,0,0]=4 488 B9R0.7 C=C(F)COC(C)C(=O)C 34a_100000212229_100009893438 [0,0,1,0,0,0|2,0,0]=3 489 B9R0.7 C=C(F)COC(C)C(=O)N 34a_200010262243_100000702099 [0,0,1,0,0,0|3,0,0]=4 490 B9R0.7 C=C(F)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000042424 [0,0,1,0,0,0|3,0,0]=4 491 B9R0.7 C=C(F)CO[C@H](C)C(=O)N 34a_100000731257_100009893438 [0,0,1,0,0,0|3,0,0]=4 492 B9R0.7 C=C(F)CO[C@H](C)C(=O)N 7a_100000731257_100000042424 [0,0,1,0,0,0|3,0,0]=4 493 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100000042424_100009814033 [0,0,1,0,0,0|2,0,0]=3 494 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100009814033_100000042424 [0,0,1,0,0,0|2,0,0]=3 495 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000042424_100000702099 [0,0,1,0,0,0|3,0,0]=4 496 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000702099_100000042424 [0,0,1,0,0,0|3,0,0]=4 497 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [0,0,1,0,0,0|2,0,1]=4 498 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,1,0,0,0|0,0,2]=3 499 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,1,0,0,0|1,0,1]=3 500 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,1,0,0,0|1,0,1]=3 501 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,1,0,0,0|3,0,0]=4 502 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,1,0,0,0|3,0,0]=4 503 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,1,0,0,0|1,0,2]=4 504 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,1,0,0,0|2,0,1]=4 505 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,1,0,0,0|3,0,0]=4 506 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,1,0,0,0|3,0,0]=4 507 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,1,0,0,0|1,0,2]=4 508 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,1,0,0,0|2,0,1]=4 509 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,1,0,0,0|2,0,1]=4 510 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,1,0,0,0|3,0,0]=4 511 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,1,0,0,0|3,0,0]=4 512 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,1,0,0,0|3,0,0]=4 513 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,1,0,0,0|3,0,0]=4 514 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,1,0,0,0|1,0,2]=4 515 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,1,0,0,0|1,0,2]=4 516 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,1,0,0,0|2,0,1]=4 517 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,1,0,0,0|2,0,1]=4 518 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,1,0,0,0|2,0,1]=4 519 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,1,0,0,0|2,0,1]=4 520 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,1,0,0,0|2,0,0]=3 521 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,1,0,0,0|3,0,0]=4 522 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,1,0,0,0|3,0,0]=4 523 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,1,0,0,0|3,0,0]=4 524 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,1,0,0,0|3,0,0]=4 525 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,1,0,0,0|2,0,0]=3 526 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,1,0,0,0|1,0,2]=4 527 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,1,0,0,0|1,0,2]=4 528 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,1,0,0,0|1,0,2]=4 529 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,1,0,0,0|1,0,2]=4 530 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,0,1,0,0,0|2,0,1]=4 531 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,0,1,0,0,0|2,0,1]=4 532 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,1,0,0,0|2,0,0]=3 533 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,1,0,0,0|2,0,0]=3 534 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,1,0,0,0|2,0,1]=4 535 B9R0.13 C/C=C/CN(CC)C(C)C 269982a_100000223864_100102629194 [0,0,1,0,0,0|2,0,1]=4 536 B9R0.13 CC=CCN(CC)C(C)C 2230a_100000223864_100000070051 [0,0,1,0,0,0|2,0,1]=4 537 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,0,1,0,0,0|0,0,2]=3 538 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,0,1,0,0,0|0,0,2]=3 539 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,0,1,0,0,0|0,0,2]=3 540 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,0,1,0,0,0|1,0,2]=4 541 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,0,1,0,0,0|1,0,2]=4 542 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,0,1,0,0,0|1,0,2]=4 543 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,0,1,0,0,0|1,0,2]=4 544 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,0,1,0,0,0|2,0,1]=4 545 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,0,1,0,0,0|2,0,1]=4 546 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,0,1,0,0,0|2,0,1]=4 547 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,0,1,0,0,0|2,0,1]=4 548 B11R2.34 CC1=CCN(CC1)C2CC2 269982a_100000693516_100000211595 [0,0,0,1,0,0|2,0,1]=4 549 B11R2.34 CC1=CCN(CC1)C2CC2 34a_100000693516_100000211595 [0,0,0,1,0,0|2,0,1]=4 550 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200000210301 [0,0,0,1,0,0|2,0,1]=4 551 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200000210301 [0,0,0,1,0,0|2,0,1]=4 552 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200000210301 [0,0,0,1,0,0|2,0,1]=4 553 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200025704644 [0,0,0,1,0,0|2,0,1]=4 554 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200025704644 [0,0,0,1,0,0|2,0,1]=4 555 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200025704644 [0,0,0,1,0,0|2,0,1]=4 556 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,0,1,0|2,0,0]=3 557 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,0,1,0|2,0,0]=3 558 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,0,1,0|1,0,1]=3 559 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,0,1,0|1,0,0]=2 560 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,0,1,0|2,0,0]=3 561 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,0,1,0|3,0,0]=4 562 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,0,0,0,1,0|3,0,0]=4 563 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,0,1,0|2,0,1]=4 564 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,0,1,0|2,0,1]=4 565 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,0,1,0|2,0,1]=4 566 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,0,1,0|2,0,1]=4 567 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,0,1,0|2,0,1]=4 568 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,0,1,0|2,0,1]=4 569 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,0,1,0|1,0,1]=3 570 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,0,1,0|1,0,1]=3 571 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,0,1,0|1,0,1]=3 572 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,0,1,0|3,0,0]=4 573 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,0,1,0|3,0,0]=4 574 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,0,1,0|3,0,0]=4 575 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,0,1,0|3,0,0]=4 576 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,0,1,0|2,0,0]=3 577 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,0,1,0|3,0,0]=4 578 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,0,1,0|2,0,0]=3 579 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,0,1,0|2,0,1]=4 580 B9R1.35 CN(C)[C@H]1CCN(C1)[13CH3] 2230a_100016988096_200025704644 [0,0,0,0,1,0|3,0,0]=4 581 B9R1.35 CN(C)[C@H]1CCN(C1)[13CH3] 269982a_100016988096_200025704644 [0,0,0,0,1,0|3,0,0]=4 582 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,0,1,0|2,0,0]=3 583 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,0,1,0|2,0,0]=3 584 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,0,1,0|2,0,0]=3 585 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,0,1,0|1,0,0]=2 586 B9R1.35 CN1CCC(C1)N(C)C 2230a_103436538152_200000210301 [0,0,0,0,1,0|3,0,0]=4 587 B9R1.35 CN1CCC(C1)N(C)C 269982a_100102631434_200012183744 [0,0,0,0,1,0|3,0,0]=4 588 B9R1.35 CN1CCC(C1)N(C)C 269982a_103436538152_200000210301 [0,0,0,0,1,0|3,0,0]=4 589 B9R1.35 CN1CCC(C1)N(C)[13CH3] 2230a_103436538152_200025704644 [0,0,0,0,1,0|3,0,0]=4 590 B9R1.35 CN1CCC(C1)N(C)[13CH3] 269982a_103436538152_200025704644 [0,0,0,0,1,0|3,0,0]=4 591 B9R1.35 CN1CC[C@@H](C1)N(C)C 2230a_100016988096_200000210301 [0,0,0,0,1,0|3,0,0]=4 592 B9R1.35 CN1CC[C@@H](C1)N(C)C 269982a_100016988096_200000210301 [0,0,0,0,1,0|3,0,0]=4 593 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,0,1,0|2,0,0]=3 594 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,0,1,0|1,0,1]=3 595 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,0,1,0|2,0,0]=3 596 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,0,1,0|3,0,0]=4 597 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,0,0,0,1,0|3,0,0]=4 598 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,0,1,0|2,0,0]=3 599 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,0,1,0|3,0,0]=4 600 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,0,1,0|2,0,0]=3 601 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,0,1,0|2,0,0]=3 602 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,0,1,0|2,0,0]=3 603 B11R1.20 C=C(C)CN1CC=C(CC1)C 2230a_100000693516_100000748629 [0,0,0,0,0,1|2,0,0]=3 604 B11R1.20 C=C(C)CN1CC=C(CC1)C 269982a_100000693516_100000748629 [0,0,0,0,0,1|2,0,0]=3 605 B11R1.20 C=C(C)CN1CC=C(CC1)C 34a_100000693516_100000748629 [0,0,0,0,0,1|2,0,0]=3 606 B11R1.20 C=C(F)CN1CC=C(CC1)C 2230a_100000693516_100009893438 [0,0,0,0,0,1|2,0,1]=4 607 B11R1.20 C=C(F)CN1CC=C(CC1)C 269982a_100000693516_100009893438 [0,0,0,0,0,1|2,0,1]=4 608 B11R1.20 C=C(F)CN1CC=C(CC1)C 34a_100000693516_100009893438 [0,0,0,0,0,1|2,0,1]=4 609 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,0,0,1|0,0,3]=4 610 B11R1.20 CC(=O)C=C1CCN(CC1)C 1458a_100000699038_200000210301 [0,0,0,0,0,1|1,0,2]=4 611 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,0,0,1|0,0,2]=3 612 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,0,0,0,1|1,0,2]=4 613 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,0,0,0,1|1,0,1]=3 614 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,0,0,1|1,0,2]=4 615 B11R1.20 CC(=O)CN1CCN(CC1)C 1458a_100000753313_200000210301 [0,0,0,0,0,1|2,0,1]=4 616 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,0,0,1|2,0,0]=3 617 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,0,0,1|2,0,0]=3 618 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,0,0,1|2,0,0]=3 619 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,0,0,1|2,0,0]=3 620 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,0,0,0,0,1|1,0,1]=3 621 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,0,0,0,0,1|1,0,1]=3 622 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,0,0,0,0,1|1,0,1]=3 623 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,0,0,0,0,1|1,0,1]=3 624 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,0,0,0,0,1|1,0,1]=3 625 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,0,0,0,0,1|1,0,1]=3 626 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,0,0,0,0,1|1,0,1]=3 627 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,0,0,0,0,1|0,0,2]=3 628 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,0,0,0,0,1|0,0,2]=3 629 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,0,0,0,0,1|0,0,2]=3 630 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,0,0,0,0,1|1,0,2]=4 631 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,0,0,0,0,1|1,0,2]=4 632 B11R1.20 CC1=CCN(CC1)CC(=O)N 2230a_100000693516_100000747473 [0,0,0,0,0,1|2,0,0]=3 633 B11R1.20 CC1=CCN(CC1)CC(=O)N 269982a_100000693516_100000187820 [0,0,0,0,0,1|2,0,0]=3 634 B11R1.20 CC1=CCN(CC1)CC(=O)N 34a_100000693516_100000187820 [0,0,0,0,0,1|2,0,0]=3 635 B11R1.20 CC1=CCN(CC1)CC(=O)[O-] 269982a_100000693516_100020667443 [0,0,0,0,0,1|2,0,0]=3 636 B11R1.20 CC1=CCN(CC1)CC(=O)[O-] 34a_100000693516_100020667443 [0,0,0,0,0,1|2,0,0]=3 637 B11R1.20 CC1=CCN(CC1)CC(C)C 2230a_100000693516_100000210760 [0,0,0,0,0,1|2,0,1]=4 638 B11R1.20 CC1=CCN(CC1)CC(C)C 269982a_100000693516_100000210624 [0,0,0,0,0,1|2,0,1]=4 639 B11R1.20 CC1=CCN(CC1)CC(C)C 270004a_100000693516_100000210432 [0,0,0,0,0,1|2,0,1]=4 640 B11R1.20 CC1=CCN(CC1)CC(C)C 34a_100000693516_100000210624 [0,0,0,0,0,1|2,0,1]=4 641 B11R1.20 CC1=CCN(CC1)CC(C)O 2230a_100000693516_100011218427 [0,0,0,0,0,1|1,0,2]=4 642 B11R1.20 CC1=CCN(CC1)CC(C)O 269982a_100000693516_100011218427 [0,0,0,0,0,1|1,0,2]=4 643 B11R1.20 CC1=CCN(CC1)CC(C)O 34a_100000693516_100011218427 [0,0,0,0,0,1|1,0,2]=4 644 B11R1.20 CC1=CCN(CC1)C[C@@H](C)O 2230a_100000693516_100009817552 [0,0,0,0,0,1|1,0,2]=4 645 B11R1.20 CC1=CCN(CC1)C[C@@H](C)O 269982a_100000693516_100009817552 [0,0,0,0,0,1|1,0,2]=4 646 B11R1.20 CC1=CCN(CC1)C[C@@H](C)O 34a_100000693516_100009817552 [0,0,0,0,0,1|1,0,2]=4 647 B11R1.20 CC1=CCN(CC1)C[N+](=O)[O-] 269982a_100000693516_100000761209 [0,0,0,0,0,1|3,0,0]=4 648 B11R1.20 CC1=CCN(CC1)C[N+](=O)[O-] 34a_100000693516_100000761209 [0,0,0,0,0,1|3,0,0]=4 649 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,0,0,1|0,0,3]=4 650 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,0,0,1|0,0,2]=3 651 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,0,0,1|1,0,2]=4 652 B11R1.20 CN1CCC(=CC(=O)[13CH3])CC1 1458a_100000699038_200025704644 [0,0,0,0,0,1|1,0,2]=4 653 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,0,0,0,0,1|2,0,1]=4 654 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,0,0,0,0,1|2,0,1]=4 655 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,0,0,0,1|1,0,1]=3 656 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [0,0,0,0,0,1|2,0,1]=4 657 B11R1.20 CN1CCN(CC1)CC(=O)[13CH3] 1458a_100000753313_200025704644 [0,0,0,0,0,1|2,0,1]=4 658 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,0,0,0,1|1,0,2]=4 659 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,0,0,0,0,1|2,0,1]=4 660 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,0,0,0,0,1|2,0,1]=4 661 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [0,0,0,0,0,1|2,0,1]=4 662 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,0,0,0,0,1|1,0,2]=4 663 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,0,0,0,0,1|1,0,2]=4 664 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,0,0,0,0,1|1,0,2]=4 665 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,0,0,0,0,1|1,0,2]=4 666 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,0,0,0,0,1|2,0,1]=4 667 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,0,0,0,0,1|2,0,1]=4 668 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,0,0,0,0,1|2,0,1]=4 669 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,0,0,0,0,1|2,0,1]=4 670 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,0,0,0,0,1|2,0,1]=4 671 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,0,0,0,1|2,0,1]=4 672 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,0,0,0,1|2,0,1]=4 673 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,0,0,0,1|2,0,1]=4 674 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,0,0,0,1|2,0,1]=4 675 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,0,0,0,1|2,0,1]=4 676 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,0,0,0,1|2,0,1]=4 677 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,0,1,0,0,0|1,0,1]=4 678 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,0,1,0,0,0|1,0,1]=4 679 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,1,0,0,0|2,0,0]=4 680 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,1,0,0,0|1,0,0]=3 681 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,0,1,0,0,0|2,0,0]=4 682 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,0,1,0,0,0|2,0,0]=4 683 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,0,1,0,0,0|2,0,0]=4 684 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,0,1,0,0,0|2,0,0]=4 685 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,0,1,0,0,0|2,0,0]=4 686 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,0,1,0,0,0|2,0,0]=4 687 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,0,1,0,0,0|2,0,0]=4 688 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,0,1,0,0,0|2,0,0]=4 689 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,0,1,0,0,0|2,0,0]=4 690 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,0,1,0,0,0|2,0,0]=4 691 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,0,1,0,0,0|2,0,0]=4 692 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,0,1,0,0,0|2,0,0]=4 693 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,0,1,0,0,0|2,0,0]=4 694 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,1,0,0,0|0,0,2]=4 695 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,1,0,0,0|0,0,2]=4 696 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,1,0,0,0|0,0,2]=4 697 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|1,0,1]=4 698 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|1,0,1]=4 699 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,1,0,0,0|0,0,0]=2 700 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,1,0,0,0|2,0,0]=4 701 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,1,0,0,0|2,0,0]=4 702 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,0,1,0,0,0|2,0,0]=4 703 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,1,0,0,0|1,0,0]=3 704 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,0,1,0,0,0|2,0,0]=4 705 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,0,1,0,0,0|2,0,0]=4 706 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,0,1,0,0,0|2,0,0]=4 707 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,0,1,0,0,0|2,0,0]=4 708 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,1,0,0,0|0,0,2]=4 709 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,1,0,0,0|0,0,2]=4 710 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,1,0,0,0|0,0,2]=4 711 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,1,0,0,0|0,0,2]=4 712 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,1,0,0,0|0,0,2]=4 713 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,1,0,0,0|1,0,1]=4 714 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,1,0,0,0|1,0,1]=4 715 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,1,0,0,0|1,0,1]=4 716 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,1,0,0,0|1,0,1]=4 717 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,1,0,0,0|1,0,1]=4 718 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,1,0,0,0|1,0,1]=4 719 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,1,0,0,0|1,0,1]=4 720 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,1,0,0,0|1,0,1]=4 721 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,1,0,0,0|1,0,1]=4 722 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,1,0,0,0|1,0,1]=4 723 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,1,0,0,0|1,0,1]=4 724 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,1,0,0,0|1,0,1]=4 725 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,1,0,0,0|1,0,1]=4 726 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,1,0,0,0|1,0,1]=4 727 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,1,0,0,0|1,0,1]=4 728 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|1,0,1]=4 729 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|1,0,1]=4 730 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,0,1,0,0,0|2,0,0]=4 731 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,1,0,0,0|2,0,0]=4 732 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [1,0,1,0,0,0|2,0,0]=4 733 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [1,0,1,0,0,0|2,0,0]=4 734 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,0,1,0,0,0|1,0,0]=3 735 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [1,0,1,0,0,0|2,0,0]=4 736 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [1,0,1,0,0,0|2,0,0]=4 737 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [1,0,1,0,0,0|2,0,0]=4 738 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [1,0,1,0,0,0|2,0,0]=4 739 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [1,0,1,0,0,0|2,0,0]=4 740 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [1,0,1,0,0,0|2,0,0]=4 741 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [1,0,1,0,0,0|2,0,0]=4 742 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [1,0,1,0,0,0|2,0,0]=4 743 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,1,0,0,0|2,0,0]=4 744 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,1,0,0,0|2,0,0]=4 745 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,1,0,0,0|0,0,2]=4 746 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,1,0,0,0|0,0,0]=2 747 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,0,1,0,0,0|2,0,0]=4 748 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,1,0,0,0|1,0,0]=3 749 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,1,0,0,0|2,0,0]=4 750 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,1,0,0,0|0,0,1]=3 751 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,1,0,0,0|0,0,1]=3 752 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,1,0,0,0|1,0,1]=4 753 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,1,0,0,0|1,0,0]=3 754 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,1,0,0,0|1,0,0]=3 755 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,1,0,0,0|2,0,0]=4 756 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,1,0,0,0|2,0,0]=4 757 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,1,0,0,0|2,0,0]=4 758 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,1,0,0,0|1,0,1]=4 759 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,1,0,0,0|1,0,1]=4 760 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,1,0,0,0|1,0,1]=4 761 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,1,0,0,0|2,0,0]=4 762 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,1,0,0,0|1,0,1]=4 763 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,1,0,0,0|1,0,1]=4 764 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,1,0,0,0|1,0,1]=4 765 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,1,0,0,0|1,0,1]=4 766 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,1,0,0,0|1,0,1]=4 767 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,1,0,0,0|1,0,0]=3 768 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,1,0,0,0|1,0,0]=3 769 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,1,0,0,0|1,0,0]=3 770 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,1,0,0,0|2,0,0]=4 771 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,1,0,0,0|1,0,1]=4 772 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,1,0,0,0|1,0,1]=4 773 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,1,0,0,0|1,0,1]=4 774 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,1,0,0,0|1,0,1]=4 775 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,0,1,0,0,0|2,0,0]=4 776 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,0,1,0,0,0|2,0,0]=4 777 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,0,1,0,0,0|2,0,0]=4 778 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,0,1,0,0,0|2,0,0]=4 779 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,1,0,0,0|2,0,0]=4 780 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,1,0,0,0|2,0,0]=4 781 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,1,0,0,0|0,0,2]=4 782 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,1,0,0,0|0,0,1]=3 783 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,1,0,0,0|1,0,1]=4 784 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,1,0,0,0|2,0,0]=4 785 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,1,0,0,0|2,0,0]=4 786 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,1,0,0,0|2,0,0]=4 787 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [1,0,1,0,0,0|2,0,0]=4 788 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [1,0,1,0,0,0|1,0,0]=3 789 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [1,0,1,0,0,0|1,0,0]=3 790 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [1,0,1,0,0,0|1,0,0]=3 791 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [1,0,1,0,0,0|1,0,0]=3 792 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,0,1,0,0,0|1,0,0]=3 793 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,0,1,0,0,0|2,0,0]=4 794 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,1,0,0,0|2,0,0]=4 795 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,0,1,0,0,0|2,0,0]=4 796 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,0,1,0,0,0|2,0,0]=4 797 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [1,0,1,0,0,0|1,0,0]=3 798 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [1,0,1,0,0,0|2,0,0]=4 799 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [1,0,1,0,0,0|2,0,0]=4 800 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [1,0,1,0,0,0|2,0,0]=4 801 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [1,0,1,0,0,0|2,0,0]=4 802 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,0,1,0,0,0|1,0,0]=3 803 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,0,1,0,0,0|1,0,0]=3 804 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,0,1,0,0,0|1,0,0]=3 805 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [1,0,1,0,0,0|2,0,0]=4 806 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [1,0,1,0,0,0|2,0,0]=4 807 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,0,1,0,0,0|1,0,0]=3 808 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,1,0,0,0|2,0,0]=4 809 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,1,0,0,0|2,0,0]=4 810 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,1,0,0,0|2,0,0]=4 811 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,1,0,0,0|0,0,1]=3 812 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,1,0,0,0|0,0,1]=3 813 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,1,0,0,0|0,0,1]=3 814 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,1,0,0,0|1,0,1]=4 815 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,1,0,0,0|1,0,1]=4 816 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,1,0,0,0|1,0,1]=4 817 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,1,0,0,0|1,0,1]=4 818 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,1,0,0,0|1,0,1]=4 819 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,1,0,0,0|1,0,1]=4 820 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,1,0,0,0|1,0,1]=4 821 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,1,0,0,0|1,0,1]=4 822 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,1,0,0,0|1,0,1]=4 823 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,1,0,0,0|1,0,1]=4 824 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,1,0,0,0|1,0,1]=4 825 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,0,1,0,0,0|2,0,0]=4 826 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,0,1,0,0,0|2,0,0]=4 827 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,0,1,0,0,0|2,0,0]=4 828 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,0,1,0,0,0|2,0,0]=4 829 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,0,1,0,0,0|2,0,0]=4 830 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,0,1,0,0,0|2,0,0]=4 831 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,1,0,0,0|2,0,0]=4 832 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,1,0,0,0|2,0,0]=4 833 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,0,1,0,0,0|2,0,0]=4 834 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,0,1,0,0,0|2,0,0]=4 835 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,0,1,0,0,0|2,0,0]=4 836 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,0,1,0,0,0|2,0,0]=4 837 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,0,1,0,0,0|2,0,0]=4 838 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,0,1,0,0,0|2,0,0]=4 839 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,0,1,0,0,0|2,0,0]=4 840 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,0,1,0,0,0|1,0,0]=3 841 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,0,1,0,0,0|1,0,1]=4 842 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,0,1,0,0,0|1,0,1]=4 843 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,0,1,0,0,0|1,0,1]=4 844 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,0,1,0,0,0|1,0,1]=4 845 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,0,1,0,0,0|1,0,1]=4 846 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,0,1,0,0,0|1,0,1]=4 847 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,0,1,0,0,0|1,0,1]=4 848 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [1,0,1,0,0,0|2,0,0]=4 849 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [1,0,1,0,0,0|2,0,0]=4 850 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [1,0,1,0,0,0|1,0,1]=4 851 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [1,0,1,0,0,0|1,0,1]=4 852 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,1,0,0,0|1,0,1]=4 853 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,1,0,0,0|1,0,1]=4 854 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,0,1,0,0,0|1,0,1]=4 855 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,0,1,0,0,0|1,0,1]=4 856 B8R0.11 C/C=C/CN(CC)CC 269956a_100000042499_100102629194 [1,0,1,0,0,0|1,0,1]=4 857 B8R0.11 C/C=C/CN(CC)CC 269982a_100000724800_100102629194 [1,0,1,0,0,0|1,0,1]=4 858 B8R0.11 CC=CCN(CC)CC 2230a_100000724800_100000070051 [1,0,1,0,0,0|1,0,1]=4 859 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,1,0,0,0|0,0,1]=3 860 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,1,0,0,0|0,0,1]=3 861 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,1,0,0,0|0,0,1]=3 862 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,1,0,0,0|1,0,1]=4 863 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,1,0,0,0|1,0,1]=4 864 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,1,0,0,0|1,0,1]=4 865 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,1,0,0,0|1,0,1]=4 866 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [2,0,0,0,0,0|1,0,1]=4 867 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [2,0,0,0,0,0|1,0,1]=4 868 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [2,0,0,0,0,0|1,0,1]=4 869 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [2,0,0,0,0,0|1,0,0]=3 870 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [2,0,0,0,0,0|1,0,0]=3 871 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [2,0,0,0,0,0|1,0,0]=3 872 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [2,0,0,0,0,0|1,0,0]=3 873 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [2,0,0,0,0,0|1,0,0]=3 874 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [2,0,0,0,0,0|1,0,0]=3 875 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [2,0,0,0,0,0|1,0,0]=3 876 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [2,0,0,0,0,0|1,0,0]=3 877 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [2,0,0,0,0,0|1,0,1]=4 878 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [2,0,0,0,0,0|1,0,1]=4 879 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [2,0,0,0,0,0|1,0,1]=4 880 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [2,0,0,0,0,0|1,0,1]=4 881 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [2,0,0,0,0,0|1,0,1]=4 882 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [2,0,0,0,0,0|1,0,1]=4 883 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,1,0,0,0|1,0,1]=4 884 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,1,1,0,0,0|1,0,1]=4 885 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,1,0,0,0|1,0,1]=4 886 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,1,0,0,0|1,0,1]=4 887 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,1,0,0,0|1,0,1]=4 888 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,1,0,0,0|1,0,1]=4 889 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,1,0,0,0|1,0,1]=4 890 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,1,1,0,0,0|1,0,1]=4 891 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,1,1,0,0,0|1,0,1]=4 892 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,1,1,0,0,0|1,0,1]=4 893 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,1,1,0,0,0|1,0,1]=4 894 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,1,1,0,0,0|1,0,1]=4 895 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,1,1,0,0,0|2,0,0]=4 896 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,1,0,0,0|1,0,0]=3 897 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,1,0,0,0|2,0,0]=4 898 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,1,0,0,0|2,0,0]=4 899 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,1,0,0,0|2,0,0]=4 900 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,1,0,0,0|1,0,1]=4 901 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,1,0,0,0|1,0,1]=4 902 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,1,0,0,0|1,0,1]=4 903 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,1,0,0,0|1,0,1]=4 904 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,1,0,0,0|1,0,1]=4 905 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,1,0,0,0|1,0,1]=4 906 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,1,0,0,0|1,0,1]=4 907 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,1,0,0,0|1,0,1]=4 908 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,1,0,0,0|1,0,1]=4 909 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,1,1,0,0,0|2,0,0]=4 910 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,1,1,0,0,0|2,0,0]=4 911 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,1,0,0,0|1,0,1]=4 912 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,1,0,0,0|1,0,1]=4 913 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,1,0,0,0|1,0,1]=4 914 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,1,0,0,0|2,0,0]=4 915 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,1,0,0,0|1,0,1]=4 916 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,1,1,0,0,0|1,0,1]=4 917 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,1,1,0,0,0|1,0,1]=4 918 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,1,1,0,0,0|1,0,1]=4 919 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,1,1,0,0,0|1,0,1]=4 920 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,1,0,0,0|1,0,1]=4 921 B10R0.44 C=C(C)CC(=O)C=C(C)CC 1458a_100020758463_100000748629 [0,1,1,0,0,0|1,0,1]=4 922 B10R0.44 CCC(=CC(=O)CC(=O)N)C 1458a_100020758463_100000187820 [0,1,1,0,0,0|1,0,1]=4 923 B10R0.44 CCC(=CC(=O)CC(=O)[O-])C 1458a_100020758463_100020667443 [0,1,1,0,0,0|1,0,1]=4 924 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,1,0,0,0|2,0,0]=4 925 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,1,0,0,0|2,0,0]=4 926 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,1,1,0,0,0|1,0,1]=4 927 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,1,1,0,0,0|1,0,1]=4 928 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,1,1,0,0,0|1,0,1]=4 929 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,1,1,0,0,0|2,0,0]=4 930 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,1,1,0,0,0|2,0,0]=4 931 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,1,1,0,0,0|2,0,0]=4 932 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,1,1,0,0,0|2,0,0]=4 933 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,1,1,0,0,0|1,0,1]=4 934 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,1,1,0,0,0|1,0,1]=4 935 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,1,1,0,0,0|1,0,1]=4 936 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,1,1,0,0,0|1,0,1]=4 937 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,1,1,0,0,0|1,0,1]=4 938 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,1,1,0,0,0|1,0,1]=4 939 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,1,1,0,0,0|1,0,1]=4 940 B10R0.57 CCN(C)C(=O)CCC(=O)N 240690a_100000225621_100011215257 [0,1,1,0,0,0|2,0,0]=4 941 B10R0.57 CCN(C)C(=O)CCC(=O)N 527a_100000225621_100011215257 [0,1,1,0,0,0|2,0,0]=4 942 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,1,1,0,0,0|2,0,0]=4 943 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,1,1,0,0,0|2,0,0]=4 944 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,1,1,0,0,0|2,0,0]=4 945 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,1,1,0,0,0|2,0,0]=4 946 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 947 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 948 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,1,1,0,0,0|2,0,0]=4 949 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 950 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 951 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,1,1,0,0,0|2,0,0]=4 952 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,1,0,0,0|2,0,0]=4 953 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,1,1,0,0,0|1,0,1]=4 954 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,1,0,0,0|1,0,1]=4 955 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,1,0,0,0|1,0,1]=4 956 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,1,0,0,0|1,0,1]=4 957 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,1,0,0,0|1,0,1]=4 958 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,1,1,0,0,0|1,0,1]=4 959 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,1,0,0,0|2,0,0]=4 960 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,1,0,0,0|2,0,0]=4 961 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,1,0,0,0|2,0,0]=4 962 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,1,0,0,0|2,0,0]=4 963 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,1,1,0,0,0|1,0,1]=4 964 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,1,1,0,0,0|1,0,1]=4 965 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,1,1,0,0,0|1,0,1]=4 966 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,1,1,0,0,0|1,0,1]=4 967 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,1,1,0,0,0|1,0,1]=4 968 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,1,1,0,0,0|1,0,1]=4 969 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,1,1,0,0,0|1,0,1]=4 970 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,1,1,0,0,0|1,0,1]=4 971 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,1,1,0,0,0|1,0,1]=4 972 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,1,1,0,0,0|1,0,1]=4 973 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,1,1,0,0,0|1,0,1]=4 974 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,1,0,0,0|1,0,1]=4 975 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,1,1,0,0,0|1,0,1]=4 976 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,1,1,0,0,0|1,0,1]=4 977 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,1,0,0,0|1,0,1]=4 978 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,1,0,0,0|1,0,1]=4 979 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,1,0,0,0|1,0,1]=4 980 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,1,1,0,0,0|2,0,0]=4 981 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,1,1,0,0,0|2,0,0]=4 982 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,1,1,0,0,0|2,0,0]=4 983 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,1,1,0,0,0|2,0,0]=4 984 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,1,1,0,0,0|2,0,0]=4 985 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,1,1,0,0,0|2,0,0]=4 986 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,1,0,0,0|2,0,0]=4 987 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,1,1,0,0,0|1,0,1]=4 988 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,1,1,0,0,0|1,0,1]=4 989 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,1,1,0,0,0|1,0,1]=4 990 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,1,1,0,0,0|1,0,1]=4 991 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,1,1,0,0,0|1,0,1]=4 992 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,1,1,0,0,0|1,0,1]=4 993 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,1,1,0,0,0|1,0,1]=4 994 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,1,1,0,0,0|1,0,1]=4 995 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,1,1,0,0,0|1,0,1]=4 996 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,1,1,0,0,0|1,0,1]=4 997 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,1,1,0,0,0|1,0,1]=4 998 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,1,1,0,0,0|1,0,1]=4 999 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,1,1,0,0,0|1,0,1]=4 1000 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,1,1,0,0,0|1,0,1]=4 1001 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,1,0,0,0|1,0,1]=4 1002 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,1,0,0,0|1,0,1]=4 1003 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,1,1,0,0,0|1,0,0]=3 1004 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,1,1,0,0,0|2,0,0]=4 1005 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,1,1,0,0,0|2,0,0]=4 1006 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,1,0,0,0|2,0,0]=4 1007 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,1,0,0,0|2,0,0]=4 1008 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,1,0,0,0|1,0,1]=4 1009 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,1,0,0,0|1,0,1]=4 1010 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,1,0,0,0|2,0,0]=4 1011 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,1,0,0,0|1,0,1]=4 1012 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,1,0,0,0|1,0,1]=4 1013 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,1,1,0,0,0|1,0,1]=4 1014 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,1,0,0,0|1,0,1]=4 1015 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,1,1,0,0,0|1,0,1]=4 1016 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,1,0,0,0|1,0,1]=4 1017 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,1,0,0,0|1,0,1]=4 1018 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,1,1,0,0,0|2,0,0]=4 1019 B10R0.13 C=C(C)CN(C)C(C)C(=O)C 2230a_100000225649_100009814033 [0,1,1,0,0,0|1,0,0]=3 1020 B10R0.13 C=C(C)CN(C)C(C)C(=O)C 269982a_100000225649_100009814033 [0,1,1,0,0,0|1,0,0]=3 1021 B10R0.13 C=C(C)CN(C)C(C)C(=O)N 2230a_100000225649_100000702099 [0,1,1,0,0,0|2,0,0]=4 1022 B10R0.13 C=C(C)CN(C)C(C)C(=O)N 269982a_100000225649_100000184083 [0,1,1,0,0,0|2,0,0]=4 1023 B10R0.13 C=C(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748629 [0,1,1,0,0,0|2,0,0]=4 1024 B10R0.13 CC(=CC(=O)C(C)C(=O)N)C 1458a_100000211388_100000702099 [0,1,1,0,0,0|1,0,1]=4 1025 B10R0.13 CC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100000179758 [0,1,1,0,0,0|0,0,1]=3 1026 B10R0.13 CC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100000179758 [0,1,1,0,0,0|1,0,1]=4 1027 B10R0.13 CC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100000179758 [0,1,1,0,0,0|1,0,1]=4 1028 B10R0.43 C=C(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000748629 [0,1,1,0,0,0|2,0,0]=4 1029 B10R0.43 C=C(C)CNC(C)(C)C(=O)N 34a_100000743658_100000748629 [0,1,1,0,0,0|2,0,0]=4 1030 B10R0.43 C=C(C)COC(C)(C)C(=O)C 34a_100000747739_100000748629 [0,1,1,0,0,0|1,0,0]=3 1031 B10R0.43 C=C(C)COC(C)(C)C(=O)C 7a_100000747739_100000748629 [0,1,1,0,0,0|1,0,0]=3 1032 B10R0.43 C=C(C)COC(C)(C)C(=O)N 34a_100000210245_100000702505 [0,1,1,0,0,0|2,0,0]=4 1033 B10R0.43 C=C(C)COC(C)(C)C(=O)N 34a_100011626353_100000748629 [0,1,1,0,0,0|2,0,0]=4 1034 B10R0.43 C=C(C)COC(C)(C)C(=O)N 7a_100011626353_100000748629 [0,1,1,0,0,0|2,0,0]=4 1035 B10R0.43 C=C(C)CSC(C)(C)C(=O)C 62a_100000075568_100000211660 [0,1,1,0,0,0|1,0,0]=3 1036 B10R0.43 C=C(C)CSC(C)(C)C(=O)C 62a_100000748629_100000075568 [0,1,1,0,0,0|1,0,0]=3 1037 B10R0.43 C=C(C)CSC(C)(C)C(=O)N 62a_100000702505_100000211660 [0,1,1,0,0,0|2,0,0]=4 1038 B10R0.43 C=C(C)CSC(C)(C)C(=O)N 62a_100000748629_100000702505 [0,1,1,0,0,0|2,0,0]=4 1039 B10R0.43 C=C(F)COC(C)(C)C(=O)C 34a_100000747739_100009893438 [0,1,1,0,0,0|2,0,0]=4 1040 B10R0.43 C=C(F)COC(C)(C)C(=O)C 7a_100000747739_100000042424 [0,1,1,0,0,0|2,0,0]=4 1041 B10R0.43 C=C(F)CSC(C)(C)C(=O)C 62a_100000042424_100000075568 [0,1,1,0,0,0|2,0,0]=4 1042 B10R0.43 C=C(F)CSC(C)(C)C(=O)C 62a_100000075568_100000042424 [0,1,1,0,0,0|2,0,0]=4 1043 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,1,1,0,0,0|0,0,2]=4 1044 B10R0.84 C=C(C)CNC(CC)C(=O)N 2230a_100000733705_100000748629 [0,1,1,0,0,0|2,0,0]=4 1045 B10R0.84 C=C(C)CNC(CC)C(=O)N 34a_100000733705_100000748629 [0,1,1,0,0,0|2,0,0]=4 1046 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,1,1,0,0,0|2,0,0]=4 1047 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748629 [0,1,1,0,0,0|2,0,0]=4 1048 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748629 [0,1,1,0,0,0|2,0,0]=4 1049 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,1,1,0,0,0|2,0,0]=4 1050 B10R0.84 C=C(C)COC(CC)C(=O)N 34a_100000210245_100000750255 [0,1,1,0,0,0|2,0,0]=4 1051 B10R0.84 C=C(C)CSC(CC)C(=O)N 62a_100000748629_100000750255 [0,1,1,0,0,0|2,0,0]=4 1052 B10R0.84 C=C(C)CSC(CC)C(=O)N 62a_100000750255_100000211660 [0,1,1,0,0,0|2,0,0]=4 1053 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,1,0,0,0|1,0,0]=3 1054 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,1,0,0,0|1,0,0]=3 1055 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,1,1,0,0,0|1,0,1]=4 1056 B10R0.93 CC(=O)C(C)CN(C)C(C)C 1458a_100015184680_200000210301 [0,1,1,0,0,0|1,0,1]=4 1057 B10R0.93 CC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100009814033 [0,1,1,0,0,0|2,0,0]=4 1058 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,1,1,0,0,0|1,0,1]=4 1059 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100000185065_100015343762 [0,1,1,0,0,0|2,0,0]=4 1060 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100102631434_100000194957 [0,1,1,0,0,0|2,0,0]=4 1061 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 1626a_100102631434_100000194957 [0,1,1,0,0,0|2,0,0]=4 1062 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100000185065_100015343762 [0,1,1,0,0,0|2,0,0]=4 1063 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100102631434_100000194957 [0,1,1,0,0,0|2,0,0]=4 1064 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100000185065_100103153847 [0,1,1,0,0,0|2,0,0]=4 1065 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100102631434_100000194957 [0,1,1,0,0,0|2,0,0]=4 1066 B10R0.93 CC(CN(C)C(C)C)C(=O)[13CH3] 1458a_100015184680_200025704644 [0,1,1,0,0,0|1,0,1]=4 1067 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,1,1,0,0,0|0,0,2]=4 1068 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,1,1,0,0,0|0,0,2]=4 1069 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,1,1,0,0,0|0,0,2]=4 1070 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,1,1,0,0,0|0,0,2]=4 1071 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,1,1,0,0,0|0,0,2]=4 1072 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,1,1,0,0,0|0,0,2]=4 1073 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,1,1,0,0,0|0,0,2]=4 1074 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,1,1,0,0,0|0,0,2]=4 1075 B10R0.86 C/C=C/CNC(CC)C(=O)N 34a_100000733705_100102629194 [0,1,1,0,0,0|1,0,0]=3 1076 B10R0.86 C/C=C/CNC(CO)C(=O)O 269956a_100000187304_100102629194 [0,1,1,0,0,0|2,0,0]=4 1077 B10R0.86 C/C=C/CN[C@@H](CC)[C@@H](C)O 34a_100161114882_100102629194 [0,1,1,0,0,0|0,0,2]=4 1078 B10R0.86 C/C=C/CN[C@@H](CO)C(=O)N 34a_100000729942_100102629194 [0,1,1,0,0,0|2,0,0]=4 1079 B10R0.86 C/C=C/CN[C@H](CC)C(=O)O 269956a_100000747097_100102629194 [0,1,1,0,0,0|1,0,0]=3 1080 B10R0.86 C/C=C/COC(CC)C(=O)N 34a_100016270725_100000750255 [0,1,1,0,0,0|1,0,0]=3 1081 B10R0.86 C/C=C/COC(CC)C(C)C 34a_100011218073_100102629194 [0,1,1,0,0,0|1,0,1]=4 1082 B10R0.86 C/C=C/COC(CC)C(C)C 7a_100011218073_100102629194 [0,1,1,0,0,0|1,0,1]=4 1083 B10R0.86 C/C=C/CSC(CC)C(=O)N 62a_100000750255_100102629194 [0,1,1,0,0,0|1,0,0]=3 1084 B10R0.86 C/C=C/CSC(CC)C(=O)N 62a_100102629194_100000750255 [0,1,1,0,0,0|1,0,0]=3 1085 B10R0.86 CC=CCNC(CC)C(=O)N 2230a_100000733705_100000070051 [0,1,1,0,0,0|1,0,0]=3 1086 B10R0.86 CC=CCNC(CC)C(=O)N 34a_100000733705_100000070051 [0,1,1,0,0,0|1,0,0]=3 1087 B10R0.86 CC=CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000070051 [0,1,1,0,0,0|0,0,2]=4 1088 B10R0.86 CC=CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000070051 [0,1,1,0,0,0|0,0,2]=4 1089 B10R0.86 CC=CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000070051 [0,1,1,0,0,0|2,0,0]=4 1090 B10R0.86 CC=CCN[C@@H](CO)C(=O)N 34a_100000729942_100000070051 [0,1,1,0,0,0|2,0,0]=4 1091 B10R0.86 CC=CCOC(CC)C(C)C 34a_100011218073_100000070051 [0,1,1,0,0,0|1,0,1]=4 1092 B10R0.86 CC=CCOC(CC)C(C)C 7a_100011218073_100000070051 [0,1,1,0,0,0|1,0,1]=4 1093 B10R0.86 CC=CCSC(CC)C(=O)N 62a_100000070051_100000750255 [0,1,1,0,0,0|1,0,0]=3 1094 B10R0.86 CC=CCSC(CC)C(=O)N 62a_100000750255_100000070051 [0,1,1,0,0,0|1,0,0]=3 1095 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,1,0,0,0|0,0,2]=4 1096 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,1,0,0,0|0,0,2]=4 1097 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,1,1,0,0,0|0,0,2]=4 1098 B10R0.101 CC=CC(=O)C(CC)C(=O)N 1458a_100000210699_100000750255 [0,1,1,0,0,0|1,0,1]=4 1099 B10R1.1 C=CCN1CC=C(CC1)C 2230a_100000693516_100000210623 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.1 C=CCN1CC=C(CC1)C 269982a_100000693516_100000210623 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.1 C=CCN1CC=C(CC1)C 34a_100000693516_100015514636 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.1 CC1=CCN(CC1)CC=O 2230a_100000693516_200015260668 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.1 CC1=CCN(CC1)CC=O 269982a_100000693516_200015260668 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.1 CC1=CCN(CC1)CC=O 34a_100000693516_200009817547 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.1 CC1=CCN(CC1)CCF 2230a_100000693516_100011217306 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.1 CC1=CCN(CC1)CCF 269982a_100000693516_100011217306 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.1 CC1=CCN(CC1)CCF 34a_100000693516_100011217306 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.1 CC1=CCN(CC1)CCO 2230a_100000693516_100000211926 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.1 CC1=CCN(CC1)CCO 269982a_100000693516_100000211926 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.1 CC1=CCN(CC1)CCO 34a_100000693516_100000211926 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.1 COCN1CC=C(CC1)C 2230a_100000693516_100000766300 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.1 COCN1CC=C(CC1)C 269982a_100000693516_100000766300 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.1 CSCN1CC=C(CC1)C 2230a_100000693516_100011218213 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.1 CSCN1CC=C(CC1)C 269982a_100000693516_100011218213 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.1 CSCN1CC=C(CC1)C 34a_100000693516_100011218213 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.15 C=CC(=O)N1CC=CCC1 1626a_100000698166_100000185746 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.15 C=CC(=O)N1CC=CCC1 240690a_100000698166_200121576911 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,1,0,0,0,0|0,0,2]=4 1126 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,1,0,0,0,0|0,0,2]=4 1127 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,1,0,0,0,0|0,0,2]=4 1128 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [1,1,0,0,0,0|0,0,0]=2 1138 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,1,0,0,0,0|0,0,2]=4 1139 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,1,0,0,0,0|0,0,2]=4 1140 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,1,0,0,0,0|0,0,2]=4 1141 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,1,0,0,0,0|0,0,2]=4 1142 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.15 CNC(=O)N1CC=CCC1 2708a_100102657272_100000698166 [1,1,0,0,0,0|1,0,0]=3 1155 B10R1.15 CNC(=O)N1CC=CCC1 273464a_100102657272_100000698166 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [1,1,0,0,0,0|0,0,0]=2 1157 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [1,1,0,0,0,0|0,0,0]=2 1158 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [1,1,0,0,0,0|0,0,0]=2 1159 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [1,1,0,0,0,0|0,0,0]=2 1160 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,1,0,0,0,0|0,0,2]=4 1161 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [1,1,0,0,0,0|0,0,0]=2 1165 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [1,1,0,0,0,0|0,0,2]=4 1166 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,1,0,0,0,0|0,0,2]=4 1167 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.15 O=C(CO)N1CC=CCC1 240690a_100000698166_100000210174 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.15 O=C(CO)N1CC=CCC1 527a_100000698166_100000210174 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.28 CS(=O)(=O)N1CC=CCC1 40a_100000698166_100000738038 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,1,0,0,0,0|0,0,2]=4 1173 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,1,0,0,0,0|0,0,2]=4 1174 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,1,0,0,0,0|0,0,2]=4 1175 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,1,0,0,0,0|0,0,2]=4 1176 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,1,0,0,0,0|0,0,2]=4 1177 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,1,0,0,0,0|0,0,2]=4 1178 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [1,1,0,0,0,0|1,0,0]=3 1183 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [1,1,0,0,0,0|1,0,0]=3 1184 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,1,0,0,0,0|0,0,2]=4 1195 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,1,0,0,0,0|0,0,2]=4 1197 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [1,1,0,0,0,0|0,0,2]=4 1200 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [1,1,0,0,0,0|0,0,2]=4 1201 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [1,1,0,0,0,0|0,0,2]=4 1202 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [1,1,0,0,0,0|0,0,2]=4 1206 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [1,1,0,0,0,0|0,0,2]=4 1208 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [1,1,0,0,0,0|0,0,2]=4 1209 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [1,1,0,0,0,0|1,0,1]=4 1210 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [1,1,0,0,0,0|1,0,1]=4 1211 B10R1.14 CC1=NOC(C1)C(=O)CF 1458a_100000763720_100015361967 [0,1,0,0,1,0|2,0,0]=4 1212 B10R1.14 CCC(=O)C1CC(=NO1)C 1458a_100000763720_100000210202 [0,1,0,0,1,0|2,0,0]=4 1213 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,1,0|2,0,0]=4 1214 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,0,1,0|1,0,1]=4 1215 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,0,1,0|1,0,0]=3 1216 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,0,1,0|2,0,0]=4 1217 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,0,1,0|1,0,1]=4 1218 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,0,1,0|1,0,1]=4 1219 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,0,1,0|1,0,1]=4 1220 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,0,1,0|2,0,0]=4 1221 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,1,0,0,1,0|1,0,0]=3 1222 B10R1.14 CNC(=O)C1CC(=NO1)C 11a_106832991635_100000763720 [0,1,0,0,1,0|2,0,0]=4 1223 B10R1.14 CNC(=O)C1CC(=NO1)C 1626a_100102657272_100000763720 [0,1,0,0,1,0|2,0,0]=4 1224 B10R1.14 CNC(=O)C1CC(=NO1)C 240690a_100102657272_100000763720 [0,1,0,0,1,0|2,0,0]=4 1225 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,1,0,0,1,0|2,0,0]=4 1226 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,0,1,0|1,0,1]=4 1227 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,0,1,0|1,0,1]=4 1228 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,0,1,0|1,0,0]=3 1229 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,0,1,0|1,0,0]=3 1230 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,0,1,0|1,0,0]=3 1231 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,0,1,0|1,0,0]=3 1232 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,0,1,0|1,0,0]=3 1233 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,0,1,0|1,0,0]=3 1234 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,0,1,0|1,0,0]=3 1235 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,0,1,0|1,0,0]=3 1236 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [0,1,0,0,1,0|2,0,0]=4 1237 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [0,1,0,0,1,0|2,0,0]=4 1238 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [0,1,0,0,1,0|2,0,0]=4 1239 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [0,1,0,0,1,0|2,0,0]=4 1240 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,0,1,0|1,0,1]=4 1241 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,0,1,0|1,0,1]=4 1242 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,0,1,0|2,0,0]=4 1243 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,0,1,0|2,0,0]=4 1244 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,0,1,0|2,0,0]=4 1245 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,0,1,0|2,0,0]=4 1246 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,0,1,0|1,0,0]=3 1247 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,0,1,0|1,0,0]=3 1248 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,0,1,0|1,0,0]=3 1249 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,0,1,0|1,0,0]=3 1250 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,0,1,0|1,0,1]=4 1251 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,0,1,0|1,0,1]=4 1252 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,0,1,0|1,0,1]=4 1253 B10R1.14 O=C1CC(CN1)C(=O)CF 1458a_100000747279_100015361967 [0,1,0,0,1,0|2,0,0]=4 1254 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,1,0,0,1,0|2,0,0]=4 1255 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,0,1,0|2,0,0]=4 1256 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,0,1,0|1,0,1]=4 1257 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,0,1,0|1,0,1]=4 1258 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,0,1,0|1,0,1]=4 1259 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,0,1,0|1,0,1]=4 1260 B10R1.31 CCC1=NOC(C1)C(=O)C 1458a_100000763699_200000210301 [0,1,0,0,1,0|2,0,0]=4 1261 B10R1.31 CCC1=NOC(C1)C(=O)[13CH3] 1458a_100000763699_200025704644 [0,1,0,0,1,0|2,0,0]=4 1262 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,0,1,0|1,0,0]=3 1263 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,0,1,0|2,0,0]=4 1264 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,0,1,0|2,0,0]=4 1265 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,0,1,0|2,0,0]=4 1266 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,0,1,0|1,0,0]=3 1267 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,0,1,0|1,0,1]=4 1268 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,0,1,0|1,0,1]=4 1269 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,0,1,0|1,0,1]=4 1270 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,0,1,0|1,0,1]=4 1271 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,0,1,0|1,0,1]=4 1272 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,0,1,0|1,0,1]=4 1273 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,0,1,0|1,0,1]=4 1274 B10R1.31 NC(=O)C1CCN(C1)CF 269982a_100000752358_100015361967 [0,1,0,0,1,0|2,0,0]=4 1275 B10R1.31 NC(=O)C1CCN(C1)CF 34a_100000752358_100015361967 [0,1,0,0,1,0|2,0,0]=4 1276 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,0,1,0|1,0,1]=4 1277 B10R1.55 CN1CCC(C1)S(=O)(=O)C 2230a_100000727209_200000210301 [0,1,0,0,1,0|2,0,0]=4 1278 B10R1.55 CN1CCC(C1)S(=O)(=O)C 269982a_100000727209_200000210301 [0,1,0,0,1,0|2,0,0]=4 1279 B10R1.55 CN1CCC(C1)S(=O)(=O)C 34a_100000727209_200000210301 [0,1,0,0,1,0|2,0,0]=4 1280 B10R1.55 CS(=O)(=O)C1CCN(C1)[13CH3] 2230a_100000727209_200025704644 [0,1,0,0,1,0|2,0,0]=4 1281 B10R1.55 CS(=O)(=O)C1CCN(C1)[13CH3] 269982a_100000727209_200025704644 [0,1,0,0,1,0|2,0,0]=4 1282 B10R1.55 CS(=O)(=O)C1CCN(C1)[13CH3] 34a_100000727209_200025704644 [0,1,0,0,1,0|2,0,0]=4 1283 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,1,0,0,1,0|1,0,0]=3 1284 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,0,1,0|1,0,1]=4 1285 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,0,1,0|1,0,1]=4 1286 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,0,1,0|1,0,1]=4 1287 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,1,0,0,1,0|1,0,0]=3 1288 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,1,0,0,1,0|1,0,0]=3 1289 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,1,0,0,1,0|1,0,0]=3 1290 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,0,1,0|2,0,0]=4 1291 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,0,1,0|2,0,0]=4 1292 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,1,0,0,1,0|1,0,0]=3 1293 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,1,0,0,1,0|1,0,1]=4 1294 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,1,0,0,1,0|2,0,0]=4 1295 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,1,0,0,1,0|1,0,1]=4 1296 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,1,0,0,1,0|1,0,1]=4 1297 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,1,0,0,1,0|1,0,1]=4 1298 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,1,0,0,1,0|1,0,1]=4 1299 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,0,1,0|1,0,1]=4 1300 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,0,1,0|1,0,1]=4 1301 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,0,1,0|1,0,1]=4 1302 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,1,0,0,1,0|1,0,1]=4 1303 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,1,0,0,1,0|2,0,0]=4 1304 B10R1.470 CC(=O)C1(CC(=NO1)C)C 1458a_100000763712_200000210301 [0,1,0,0,1,0|2,0,0]=4 1305 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,0,1,0|1,0,0]=3 1306 B10R1.470 CC1=NOC(C1)(C)C(=O)[13CH3] 1458a_100000763712_200025704644 [0,1,0,0,1,0|2,0,0]=4 1307 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,0,1,0|1,0,0]=3 1308 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 34a_100000161027_200025704644 [0,1,0,0,0,1|0,0,2]=4 1309 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 7a_100000161027_200025704644 [0,1,0,0,0,1|0,0,2]=4 1310 B12R1.4 CC(=O)NC1CCN(CC1)CF 269982a_100000747453_100015361967 [0,1,0,0,0,1|1,0,1]=4 1311 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100015343762 [0,1,0,0,0,1|0,0,2]=4 1312 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100103153847 [0,1,0,0,0,1|0,0,2]=4 1313 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,1,0,0,0,1|0,0,2]=4 1314 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,1,0,0,0,1|0,0,2]=4 1315 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,1,0,0,0,1|0,0,2]=4 1316 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,1,0,0,0,1|0,0,2]=4 1317 B12R1.4 CCN1CCC(CC1)CC(=O)C 1458a_200015183082_200000210301 [0,1,0,0,0,1|1,0,1]=4 1318 B12R1.4 CCN1CCC(CC1)CC(=O)[13CH3] 1458a_200015183082_200025704644 [0,1,0,0,0,1|1,0,1]=4 1319 B12R1.4 CCN1CCC(CC1)NC(=O)C 11a_100000199033_100015343762 [0,1,0,0,0,1|1,0,1]=4 1320 B12R1.4 CCN1CCC(CC1)NC(=O)C 1626a_100000199033_100015343762 [0,1,0,0,0,1|1,0,1]=4 1321 B12R1.4 CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210202 [0,1,0,0,0,1|1,0,1]=4 1322 B12R1.4 CCN1CCC(CC1)NC(=O)C 240690a_100000199033_100015343762 [0,1,0,0,0,1|1,0,1]=4 1323 B12R1.4 CCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000204670 [0,1,0,0,0,1|1,0,1]=4 1324 B12R1.4 CCN1CCC(CC1)NC(=O)C 527a_100000199033_100103153847 [0,1,0,0,0,1|1,0,1]=4 1325 B12R1.4 CNC1CCC(CC1)NC(=O)C 270004a_106832991635_100000735651 [0,1,0,0,0,1|0,0,2]=4 1326 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,1,0,0,0,1|0,0,2]=4 1327 B12R1.4 COC1CCC(CC1)CC(=O)C 1458a_100000070787_100013032858 [0,1,0,0,0,1|0,0,2]=4 1328 B12R1.4 COC1CCC(CC1)NC(=O)C 11a_100015205214_100015343762 [0,1,0,0,0,1|0,0,2]=4 1329 B12R1.4 COC1CCC(CC1)NC(=O)C 1626a_100015205214_100015343762 [0,1,0,0,0,1|0,0,2]=4 1330 B12R1.4 COC1CCC(CC1)NC(=O)C 240690a_100015205214_100015343762 [0,1,0,0,0,1|0,0,2]=4 1331 B12R1.4 COC1CCC(CC1)NC(=O)C 34a_100000161027_200000210301 [0,1,0,0,0,1|0,0,2]=4 1332 B12R1.4 COC1CCC(CC1)NC(=O)C 527a_100015205214_100103153847 [0,1,0,0,0,1|0,0,2]=4 1333 B12R1.4 COC1CCC(CC1)NC(=O)C 7a_100000161027_200000210301 [0,1,0,0,0,1|0,0,2]=4 1334 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 11a_100011935005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 527a_100011935005_100103153847 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 11a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1339 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 1626a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1340 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 240690a_100000126938_100015343762 [0,1,0,0,0,1|1,0,0]=3 1341 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 527a_100000126938_100103153847 [0,1,0,0,0,1|1,0,0]=3 1342 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 1626a_200000760522_100015343762 [0,1,0,0,0,1|1,0,1]=4 1343 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 240690a_200000760522_100015343762 [0,1,0,0,0,1|1,0,1]=4 1344 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 527a_200000760522_100103153847 [0,1,0,0,0,1|1,0,1]=4 1345 B12R1.20 C=C(C)C(=O)N1CC=C(CC1)C 11a_100000693516_100000185857 [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.20 C=C(C)C(=O)N1CC=C(CC1)C 1626a_100000693516_100000185857 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.20 CC(=O)C(C)N1CC=C(CC1)C 2230a_100000693516_100009814033 [0,1,0,0,0,1|1,0,0]=3 1348 B12R1.20 CC(=O)C(C)N1CC=C(CC1)C 269982a_100000693516_100009814033 [0,1,0,0,0,1|1,0,0]=3 1349 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 11a_100025768347_100015343762 [0,1,0,0,0,1|1,0,1]=4 1350 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 2230a_100000745782_200000210301 [0,1,0,0,0,1|1,0,1]=4 1351 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 240690a_100025768347_100015343762 [0,1,0,0,0,1|1,0,1]=4 1352 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 269982a_100000745782_200000210301 [0,1,0,0,0,1|1,0,1]=4 1353 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 527a_100025768347_100103153847 [0,1,0,0,0,1|1,0,1]=4 1354 B12R1.20 CC(=O)N(C)C1CCN(CC1)[13CH3] 2230a_100000745782_200025704644 [0,1,0,0,0,1|1,0,1]=4 1355 B12R1.20 CC(=O)N(C)C1CCN(CC1)[13CH3] 269982a_100000745782_200025704644 [0,1,0,0,0,1|1,0,1]=4 1356 B12R1.20 CC1=CCC(CC1)C(=O)C(C)C 1458a_100000137427_100000210206 [0,1,0,0,0,1|1,0,1]=4 1357 B12R1.20 CC1=CCC(CC1)C(=O)N(C)C 11a_100102631434_100000137427 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.20 CC1=CCC(CC1)C(=O)N(C)C 1626a_100102631434_100000137427 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.20 CC1=CCC(CC1)C(=O)N(C)C 240690a_100102631434_100000137427 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.20 CC1=CCC(CC1)C(=O)N(C)C 527a_100102631434_100000137427 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.20 CC1=CCC(CC1)C(C)N(C)C 270004a_100102631434_100000073480 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.20 CC1=CCN(CC1)C(=O)C(=O)N 240690a_100000693516_100011215815 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.20 CC1=CCN(CC1)C(C)C(=O)N 2230a_100000693516_100000702099 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.20 CC1=CCN(CC1)C(C)C(=O)N 269982a_100000693516_100000184083 [0,1,0,0,0,1|2,0,0]=4 1365 B12R1.20 CC1=CCN(CC1)C(C)C(=O)N 34a_100000693516_100000702099 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.20 CC1=CCN(CC1)C(F)C(=O)N 2230a_100000693516_100009813875 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.20 CC1=CCN(CC1)C(F)C(=O)N 269982a_100000693516_100009813875 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.20 CC1=CCN(CC1)C(F)C(=O)N 34a_100000693516_100009813875 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.20 CC1=CCN(CC1)C(F)C(=O)[O-] 34a_100000693516_100020610796 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,1,0,0,0,1|0,0,2]=4 1371 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,0,0,1|0,0,2]=4 1372 B12R1.49 CCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210202 [0,1,0,0,0,1|1,0,1]=4 1373 B12R1.49 CCC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747405 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.49 CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210414 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.49 CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210414 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.49 CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210414 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.49 CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210414 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.49 CCC(=O)NC1CCN(CC1)C 11a_100000198570_100000210414 [0,1,0,0,0,1|1,0,1]=4 1379 B12R1.49 CCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210414 [0,1,0,0,0,1|1,0,1]=4 1380 B12R1.49 CCC(=O)NC1CCN(CC1)C 527a_100000198570_100000210414 [0,1,0,0,0,1|1,0,1]=4 1381 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210414 [0,1,0,0,0,1|0,0,2]=4 1382 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210414 [0,1,0,0,0,1|0,0,2]=4 1383 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210414 [0,1,0,0,0,1|0,0,2]=4 1384 B12R1.49 CN1CCC(CC1)CC(=O)CF 1458a_100000700355_100015361967 [0,1,0,0,0,1|1,0,1]=4 1385 B12R1.49 CN1CCC(CC1)NC(=O)CO 240690a_100000198570_100000210174 [0,1,0,0,0,1|1,0,1]=4 1386 B12R1.49 CN1CCC(CC1)NC(=O)CO 527a_100000198570_100000210174 [0,1,0,0,0,1|1,0,1]=4 1387 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,1,0,0,0,1|0,0,2]=4 1388 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,1,0,0,0,1|0,0,2]=4 1389 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,1,0,0,0,1|0,0,2]=4 1390 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,1,0,0,0,1|0,0,2]=4 1391 B12R1.49 CNC(=O)CC1CCN(CC1)C 11a_106832991635_100000700355 [0,1,0,0,0,1|1,0,1]=4 1392 B12R1.49 CNC(=O)CC1CCN(CC1)C 1626a_100102657272_100000700355 [0,1,0,0,0,1|1,0,1]=4 1393 B12R1.49 CNC(=O)CC1CCN(CC1)C 2230a_100000765844_200000210301 [0,1,0,0,0,1|1,0,1]=4 1394 B12R1.49 CNC(=O)CC1CCN(CC1)C 240690a_100102657272_100000700355 [0,1,0,0,0,1|1,0,1]=4 1395 B12R1.49 CNC(=O)CC1CCN(CC1)C 269982a_100000765844_200000210301 [0,1,0,0,0,1|1,0,1]=4 1396 B12R1.49 CNC(=O)CC1CCN(CC1)C 34a_100000765844_200000210301 [0,1,0,0,0,1|1,0,1]=4 1397 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 2230a_100000765844_200025704644 [0,1,0,0,0,1|1,0,1]=4 1398 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 269982a_100000765844_200025704644 [0,1,0,0,0,1|1,0,1]=4 1399 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 34a_100000765844_200025704644 [0,1,0,0,0,1|1,0,1]=4 1400 B12R1.49 CNC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000183359 [0,1,0,0,0,1|1,0,0]=3 1401 B12R1.49 CNC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000183359 [0,1,0,0,0,1|1,0,0]=3 1402 B12R1.49 CNC(=O)CN1CC=C(CC1)C 34a_100000693516_100000183359 [0,1,0,0,0,1|1,0,0]=3 1403 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100000748762_106832991635 [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100102657272_100000748762 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100102657272 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100102657272_100000748762 [0,1,0,0,0,1|2,0,0]=4 1407 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_100000748762_100102657272 [0,1,0,0,0,1|2,0,0]=4 1408 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_106832991638_100000748762 [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.49 CNC(=O)NC1CCN(CC1)C 2708a_100000198570_106832991635 [0,1,0,0,0,1|1,0,1]=4 1410 B12R1.49 CNC(=O)NC1CCN(CC1)C 2708a_100102657272_100000198570 [0,1,0,0,0,1|1,0,1]=4 1411 B12R1.49 CNC(=O)NC1CCN(CC1)C 273464a_100000198570_100102657272 [0,1,0,0,0,1|1,0,1]=4 1412 B12R1.49 CNC(=O)NC1CCN(CC1)C 273464a_100102657272_100000198570 [0,1,0,0,0,1|1,0,1]=4 1413 B12R1.49 CNC(=O)NC1CCN(CC1)C 512a_100000198570_100102657272 [0,1,0,0,0,1|1,0,1]=4 1414 B12R1.49 CNC(=O)NC1CCN(CC1)C 512a_106832991638_100000198570 [0,1,0,0,0,1|1,0,1]=4 1415 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_106832991635 [0,1,0,0,0,1|0,0,2]=4 1416 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100102657272_100020625639 [0,1,0,0,0,1|0,0,2]=4 1417 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100102657272 [0,1,0,0,0,1|0,0,2]=4 1418 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100102657272_100020625639 [0,1,0,0,0,1|0,0,2]=4 1419 B12R1.49 COC(=O)CC1CCN(CC1)C 2230a_100015189564_200000210301 [0,1,0,0,0,1|1,0,1]=4 1420 B12R1.49 COC(=O)CC1CCN(CC1)C 269982a_100015189564_200000210301 [0,1,0,0,0,1|1,0,1]=4 1421 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189564_200025704644 [0,1,0,0,0,1|1,0,1]=4 1422 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189564_200025704644 [0,1,0,0,0,1|1,0,1]=4 1423 B12R1.49 COC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000747449 [0,1,0,0,0,1|1,0,0]=3 1424 B12R1.49 COC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747449 [0,1,0,0,0,1|1,0,0]=3 1425 B12R1.49 COC(=O)CN1CC=C(CC1)C 34a_100000693516_100000747449 [0,1,0,0,0,1|1,0,0]=3 1426 B12R1.49 COC(=O)NC1CCN(CC1)C 2230a_100025775168_200000210301 [0,1,0,0,0,1|1,0,1]=4 1427 B12R1.49 COC(=O)NC1CCN(CC1)C 269982a_100025775168_200000210301 [0,1,0,0,0,1|1,0,1]=4 1428 B12R1.49 COC(=O)NC1CCN(CC1)C 34a_100025775168_200000210301 [0,1,0,0,0,1|1,0,1]=4 1429 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 2230a_100025775168_200025704644 [0,1,0,0,0,1|1,0,1]=4 1430 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 269982a_100025775168_200025704644 [0,1,0,0,0,1|1,0,1]=4 1431 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 34a_100025775168_200025704644 [0,1,0,0,0,1|1,0,1]=4 1432 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 240690a_100020625639_100000210174 [0,1,0,0,0,1|0,0,2]=4 1433 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 527a_100020625639_100000210174 [0,1,0,0,0,1|0,0,2]=4 1434 B12R1.49 O=C1CCC(CN1)NC(=O)CO 240690a_100000748762_100000210174 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.49 O=C1CCC(CN1)NC(=O)CO 527a_100000748762_100000210174 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 11a_100000757809_100015343762 [0,1,0,0,0,1|0,0,2]=4 1437 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 1626a_100000757809_100015343762 [0,1,0,0,0,1|0,0,2]=4 1438 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 240690a_100000757809_100015343762 [0,1,0,0,0,1|0,0,2]=4 1439 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 527a_100000757809_100103153847 [0,1,0,0,0,1|0,0,2]=4 1440 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 11a_202125554758_100015343762 [0,1,0,0,0,1|0,0,2]=4 1441 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 1626a_202125554758_100015343762 [0,1,0,0,0,1|0,0,2]=4 1442 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 240690a_202125554758_100015343762 [0,1,0,0,0,1|0,0,2]=4 1443 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 527a_202125554758_100103153847 [0,1,0,0,0,1|0,0,2]=4 1444 B12R1.892 CC(=O)N1CCC(=O)N(CC1)C 11a_100020591582_100015343762 [0,1,0,0,0,1|2,0,0]=4 1445 B12R1.892 CC(=O)N1CCC(=O)N(CC1)C 1626a_100020591582_100015343762 [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.892 CC(=O)N1CCC(=O)N(CC1)C 240690a_100020591582_100015343762 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.892 CC(=O)N1CCC(=O)N(CC1)C 527a_100020591582_100103153847 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.1021 CC(=O)N1CCCN(C(=O)C1)C 11a_100000709885_100015343762 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.1021 CC(=O)N1CCCN(C(=O)C1)C 1626a_100000709885_100015343762 [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.1021 CC(=O)N1CCCN(C(=O)C1)C 240690a_100000709885_100015343762 [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.1021 CC(=O)N1CCCN(C(=O)C1)C 527a_100000709885_100103153847 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.5 CCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000210202 [0,2,0,0,0,0|0,0,2]=4 1453 B12R1.5 CCC(=O)C1CCC(CC1)OC 1458a_100011215563_100000210202 [0,2,0,0,0,0|0,0,2]=4 1454 B12R1.5 CCC(=O)C1CCN(CC1)CC 1458a_100015186486_100000210202 [0,2,0,0,0,0|1,0,1]=4 1455 B12R1.5 CCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210202 [0,2,0,0,0,0|0,0,2]=4 1456 B12R1.5 CCN1CCC(CC1)C(=O)CF 1458a_100015186486_100015361967 [0,2,0,0,0,0|1,0,1]=4 1457 B12R1.5 CCN1CCC(CC1)C(=O)NC 11a_106832991635_100015186486 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.5 CCN1CCC(CC1)C(=O)NC 2230a_100000746005_100000210202 [0,2,0,0,0,0|1,0,1]=4 1459 B12R1.5 CCN1CCC(CC1)C(=O)NC 240690a_100102657272_100015186486 [0,2,0,0,0,0|1,0,1]=4 1460 B12R1.5 CCN1CCC(CC1)C(=O)NC 269982a_100000746005_100000204670 [0,2,0,0,0,0|1,0,1]=4 1461 B12R1.5 CCN1CCC(CC1)C(=O)NC 34a_100000746005_100000210202 [0,2,0,0,0,0|1,0,1]=4 1462 B12R1.5 CCN1CCC(CC1)C(=O)NC 527a_100102657272_100015186486 [0,2,0,0,0,0|1,0,1]=4 1463 B12R1.5 CCN1CCC(CC1)C(=O)OC 2230a_100000212072_100000210202 [0,2,0,0,0,0|1,0,1]=4 1464 B12R1.5 CCN1CCC(CC1)C(=O)OC 269982a_100000212072_100000204670 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100000709782_100015361967 [0,2,0,0,0,0|0,0,2]=4 1466 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 11a_106832991635_100000709782 [0,2,0,0,0,0|0,0,2]=4 1467 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 1626a_100102657272_100000709782 [0,2,0,0,0,0|0,0,2]=4 1468 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 240690a_100102657272_100000709782 [0,2,0,0,0,0|0,0,2]=4 1469 B12R1.5 CC[C@H]1CC[C@@H](CC1)C(=O)NC 527a_100102657272_100000709782 [0,2,0,0,0,0|0,0,2]=4 1470 B12R1.5 CNC(=O)C1CCC(CC1)CO 1626a_100102657272_100011217856 [0,2,0,0,0,0|0,0,2]=4 1471 B12R1.5 CNC(=O)C1CCC(CC1)CO 240690a_100102657272_100011217856 [0,2,0,0,0,0|0,0,2]=4 1472 B12R1.5 CNC(=O)C1CCC(CC1)NC 2230a_200011212063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1473 B12R1.5 CNC(=O)C1CCC(CC1)NC 34a_200011212063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1474 B12R1.5 CNC(=O)C1CCC(CC1)N[13CH3] 2230a_200011212063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1475 B12R1.5 CNC(=O)C1CCC(CC1)N[13CH3] 34a_200011212063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1476 B12R1.5 CNC(=O)C1CCC(CC1)OC 11a_106832991635_100011215563 [0,2,0,0,0,0|0,0,2]=4 1477 B12R1.5 CNC(=O)C1CCC(CC1)OC 1626a_100102657272_100011215563 [0,2,0,0,0,0|0,0,2]=4 1478 B12R1.5 CNC(=O)C1CCC(CC1)OC 240690a_100102657272_100011215563 [0,2,0,0,0,0|0,0,2]=4 1479 B12R1.5 CNC(=O)C1CCC(CC1)OC 527a_100102657272_100011215563 [0,2,0,0,0,0|0,0,2]=4 1480 B12R1.5 CNC(=O)C1CCN(CC1)CF 269982a_100000746005_100015361967 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.5 CNC(=O)C1CCN(CC1)CF 34a_100000746005_100015361967 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.5 CNC1CCC(CC1)C(=O)OC 270004a_106832991635_100000760125 [0,2,0,0,0,0|0,0,2]=4 1483 B12R1.5 COC(=O)C1CCN(CC1)CF 269982a_100000212072_100015361967 [0,2,0,0,0,0|1,0,1]=4 1484 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)OC 34a_100015271307_200000210301 [0,2,0,0,0,0|0,0,2]=4 1485 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)OC 7a_100015271307_200000210301 [0,2,0,0,0,0|0,0,2]=4 1486 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)O[13CH3] 34a_100015271307_200025704644 [0,2,0,0,0,0|0,0,2]=4 1487 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)O[13CH3] 7a_100015271307_200025704644 [0,2,0,0,0,0|0,0,2]=4 1488 B12R1.5 COC1CCC(CC1)C(=O)CF 1458a_100011215563_100015361967 [0,2,0,0,0,0|0,0,2]=4 1489 B12R1.5 O=C(CF)C1CCC(CC1)CO 1458a_100011217856_100015361967 [0,2,0,0,0,0|0,0,2]=4 1490 B12R1.48 CCN1CCN(CC1=O)C(=O)C 11a_100000701330_100015343762 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.48 CCN1CCN(CC1=O)C(=O)C 1626a_100000701330_100015343762 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.48 CCN1CCN(CC1=O)C(=O)C 240690a_100000701330_100015343762 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.48 CCN1CCN(CC1=O)C(=O)C 527a_100000701330_100103153847 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CNC 269862a_106832991636_100015429263 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CNC 270004a_106832991635_100015429263 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)COC 34a_100015330809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)COC 7a_100015330809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CO[13CH3] 34a_100015330809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CO[13CH3] 7a_100015330809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009815004_200000210301 [0,2,0,0,0,0|0,0,2]=4 1501 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815004_200025704644 [0,2,0,0,0,0|0,0,2]=4 1502 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)C 1458a_200016138351_200000210301 [0,2,0,0,0,0|1,0,0]=3 1503 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)[13CH3] 1458a_200016138351_200025704644 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.256 CC(=O)C1CCN(CC1)C(=O)C 1458a_100000194564_200000210301 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.256 CC(=O)C1CCN(CC1)C(C)C 1458a_100015186490_200000210301 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.256 CC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000194564_200025704644 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.256 CC(=O)[C@H]1CC[C@@H](CC1)C(C)C 1458a_100009816688_200000210301 [0,2,0,0,0,0|0,0,2]=4 1508 B12R1.256 CC(C)N1CCC(CC1)C(=O)[13CH3] 1458a_100015186490_200025704644 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.256 CC(C)[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009816688_200025704644 [0,2,0,0,0,0|0,0,2]=4 1510 B12R1.9 CC1=CCN(CC1)S(=O)(=O)CCl 270084a_100000693516_100000031410 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.9 CC1=CCN(CC1)S(=O)(=O)CCl 274078a_100000693516_100000031410 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 34a_100015539799_200025704644 [0,2,0,0,0,0|0,0,2]=4 1513 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 7a_100015539799_200025704644 [0,2,0,0,0,0|0,0,2]=4 1514 B12R1.9 CCS(=O)(=O)N1CC=C(CC1)C 270084a_100000693516_100000211323 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.9 CCS(=O)(=O)N1CC=C(CC1)C 274078a_100000693516_100000211323 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.9 CCS(=O)(=O)N1CC=C(CC1)C 40a_100000693516_100000053943 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 34a_100015539799_200000210301 [0,2,0,0,0,0|0,0,2]=4 1518 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 7a_100015539799_200000210301 [0,2,0,0,0,0|0,0,2]=4 1519 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 34a_100000038928_200000210301 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 7a_100000038928_200000210301 [0,2,0,0,0,0|1,0,0]=3 1521 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 34a_100000038928_200025704644 [0,2,0,0,0,0|1,0,0]=3 1522 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 7a_100000038928_200025704644 [0,2,0,0,0,0|1,0,0]=3 1523 B12R1.56 CCN1CC(CCC1=O)C(=O)C 1458a_100011624518_200000210301 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.56 CCN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011624518_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 11a_100016994881_100015343762 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 1626a_100016994881_100015343762 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 240690a_100016994881_100015343762 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 527a_100016994881_100103153847 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.367 CCC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_100000210202 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.367 CCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000210202 [0,2,0,0,0,0|1,0,0]=3 1531 B12R1.367 CCC(=O)N1CCN(C(=O)C1)C 11a_100000187256_100000210414 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.367 CCC(=O)N1CCN(C(=O)C1)C 1626a_100000187256_100000210414 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.367 CCC(=O)N1CCN(C(=O)C1)C 240690a_100000187256_100000210414 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.367 CCC(=O)N1CCN(C(=O)C1)C 527a_100000187256_100000210414 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.367 CN1CC(CCC1=O)C(=O)CF 1458a_100011430921_100015361967 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.367 CN1CCC(CC1=O)C(=O)CF 1458a_100000043916_100015361967 [0,2,0,0,0,0|1,0,0]=3 1537 B12R1.367 CN1CCN(CC1=O)C(=O)CO 240690a_100000187256_100000210174 [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.367 CN1CCN(CC1=O)C(=O)CO 527a_100000187256_100000210174 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.367 CNC(=O)C1CCC(=O)N(C1)C 11a_106832991635_100011430921 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.367 CNC(=O)C1CCC(=O)N(C1)C 1626a_100102657272_100011430921 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.367 CNC(=O)C1CCC(=O)N(C1)C 240690a_100102657272_100011430921 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.367 CNC(=O)C1CCC(=O)N(C1)C 527a_100102657272_100011430921 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 11a_106832991635_100000043916 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 1626a_100102657272_100000043916 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 240690a_100102657272_100000043916 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 527a_100102657272_100000043916 [0,2,0,0,0,0|1,0,0]=3 1547 B12R1.367 CNC(=O)N1CCN(C(=O)C1)C 2708a_100102657272_100000187256 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.367 CNC(=O)N1CCN(C(=O)C1)C 273464a_100102657272_100000187256 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.367 COC(=O)C1CCC(N(C1)C)C 2230a_100020683642_200000210301 [0,2,0,0,0,0|1,0,1]=4 1550 B12R1.367 COC(=O)C1CCC(N(C1)C)C 269982a_100020683642_200000210301 [0,2,0,0,0,0|1,0,1]=4 1551 B12R1.367 COC(=O)C1CCC(N(C1)C)C 34a_100020683642_200000210301 [0,2,0,0,0,0|1,0,1]=4 1552 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 2230a_100020683642_200025704644 [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 269982a_100020683642_200025704644 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 34a_100020683642_200025704644 [0,2,0,0,0,0|1,0,1]=4 1555 B12R1.893 CC(=O)N1CCN(C(=O)C1C)C 11a_100000708691_100015343762 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.893 CC(=O)N1CCN(C(=O)C1C)C 240690a_100000708691_100015343762 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.893 CC(=O)N1CCN(C(=O)C1C)C 527a_100000708691_100103153847 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.16 C#CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000184674 [0,2,0,0,0,0|0,0,0]=2 1559 B12R1.16 C#CCC(=O)C1CCC(=C)CC1 1458a_200000138047_100000184674 [0,2,0,0,0,0|0,0,2]=4 1560 B12R1.16 C#CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000184674 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.16 C#CCC(=O)C1CCC(CC1)C 1458a_100011220946_200011216234 [0,2,0,0,0,0|0,0,2]=4 1562 B12R1.16 C#CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000184674 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.16 C#CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100011220946 [0,2,0,0,0,0|1,0,0]=3 1564 B12R1.16 C#CCC(=O)N1CC=C(CC1)C 527a_100000693516_100011220946 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.16 C#CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000184674 [0,2,0,0,0,0|0,0,2]=4 1566 B12R1.16 C=C1CCC(CC1)C(=O)CC#N 1458a_200000138047_100011214920 [0,2,0,0,0,0|0,0,2]=4 1567 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,2,0,0,0,0|0,0,2]=4 1568 B12R1.16 C=C1CCC(CC1)C(=O)CCF 1458a_200000138047_100011217306 [0,2,0,0,0,0|0,0,2]=4 1569 B12R1.16 C=C1CCC(CC1)C(=O)CCO 1458a_200000138047_100000211926 [0,2,0,0,0,0|0,0,2]=4 1570 B12R1.16 C=C1CCC(CC1)C(=O)NCC 11a_100015525214_200000138047 [0,2,0,0,0,0|0,0,2]=4 1571 B12R1.16 C=C1CCC(CC1)C(=O)NCC 240690a_100015525214_200000138047 [0,2,0,0,0,0|0,0,2]=4 1572 B12R1.16 C=C1CCC(CC1)C(=O)NCC 527a_100015525214_200000138047 [0,2,0,0,0,0|0,0,2]=4 1573 B12R1.16 C=C1CCC(CC1)C(=O)NNC 22a_100016993582_200000138047 [0,2,0,0,0,0|0,0,2]=4 1574 B12R1.16 C=CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210623 [0,2,0,0,0,0|0,0,0]=2 1575 B12R1.16 C=CCC(=O)C1CCC(=C)CC1 1458a_200000138047_100000210623 [0,2,0,0,0,0|0,0,2]=4 1576 B12R1.16 C=CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210623 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.16 C=CCC(=O)C1CCC(CC1)C 1458a_100000210193_200011216234 [0,2,0,0,0,0|0,0,2]=4 1578 B12R1.16 C=CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210623 [0,2,0,0,0,0|1,0,1]=4 1579 B12R1.16 C=CCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210193 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.16 C=CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210193 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.16 C=CCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210193 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.16 C=CCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210193 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.16 C=CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210623 [0,2,0,0,0,0|0,0,2]=4 1584 B12R1.16 CC#CC(=O)C1CCC(CC1)C 1458a_100000763181_200011216234 [0,2,0,0,0,0|0,0,2]=4 1585 B12R1.16 CC1=CCC(CC1)C(=O)CC#N 1458a_100000137427_100011214920 [0,2,0,0,0,0|0,0,0]=2 1586 B12R1.16 CC1=CCC(CC1)C(=O)CCF 1458a_100000137427_100011217306 [0,2,0,0,0,0|0,0,0]=2 1587 B12R1.16 CC1=CCC(CC1)C(=O)CCO 1458a_100000137427_100000211926 [0,2,0,0,0,0|0,0,0]=2 1588 B12R1.16 CC1=CCN(CC1)C(=O)C=CBr 1626a_100000693516_100016273825 [0,2,0,0,0,0|1,0,1]=4 1589 B12R1.16 CC1=CCN(CC1)C(=O)C=CBr 240690a_100000693516_100016273825 [0,2,0,0,0,0|1,0,1]=4 1590 B12R1.16 CC1=CCN(CC1)C(=O)C=CCl 11a_100000693516_200016279998 [0,2,0,0,0,0|1,0,1]=4 1591 B12R1.16 CC1=CCN(CC1)C(=O)C=CCl 1626a_100000693516_200016279998 [0,2,0,0,0,0|1,0,1]=4 1592 B12R1.16 CC1=CCN(CC1)C(=O)C=CCl 240690a_100000693516_200016279998 [0,2,0,0,0,0|1,0,1]=4 1593 B12R1.16 CC1=CCN(CC1)C(=O)C=CI 1626a_100000693516_100016256311 [0,2,0,0,0,0|1,0,1]=4 1594 B12R1.16 CC1=CCN(CC1)C(=O)CC#N 1626a_100000693516_100051588842 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.16 CC1=CCN(CC1)C(=O)CC#N 240690a_100000693516_100051588842 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.16 CC1=CCN(CC1)C(=O)CCO 240690a_100000693516_100011216618 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.16 CC1CCC(CC1)C(=O)CC#N 1458a_100051588842_200011216234 [0,2,0,0,0,0|0,0,2]=4 1598 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,2,0,0,0,0|0,0,2]=4 1599 B12R1.16 CC=CC(=O)C1CCC(CC1)C 1458a_100000210699_200011216234 [0,2,0,0,0,0|0,0,2]=4 1600 B12R1.16 CC=CC(=O)N1CC=C(CC1)C 11a_100000693516_100000210699 [0,2,0,0,0,0|1,0,0]=3 1601 B12R1.16 CC=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210699 [0,2,0,0,0,0|1,0,0]=3 1602 B12R1.16 CC=CC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210699 [0,2,0,0,0,0|1,0,0]=3 1603 B12R1.16 CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210303 [0,2,0,0,0,0|0,0,0]=2 1604 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,2,0,0,0,0|0,0,2]=4 1606 B12R1.16 CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210303 [0,2,0,0,0,0|1,0,1]=4 1607 B12R1.16 CCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000211992 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.16 CCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000211992 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.16 CCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000211992 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.16 CCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000211992 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,2,0,0,0,0|0,0,2]=4 1612 B12R1.16 CCNC(=O)C1CC=C(CC1)C 11a_100015525214_100000137427 [0,2,0,0,0,0|0,0,0]=2 1613 B12R1.16 CCNC(=O)C1CC=C(CC1)C 240690a_100015525214_100000137427 [0,2,0,0,0,0|0,0,0]=2 1614 B12R1.16 CCNC(=O)C1CC=C(CC1)C 527a_100015525214_100000137427 [0,2,0,0,0,0|0,0,0]=2 1615 B12R1.16 CCNC(=O)C1CCC(=O)NC1 11a_100015525214_100000740907 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.16 CCNC(=O)C1CCC(=O)NC1 240690a_100015525214_100000740907 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.16 CCNC(=O)C1CCC(=O)NC1 527a_100015525214_100000740907 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.16 CCNC(=O)C1CCN(CC1)C 240690a_100015525214_100000743488 [0,2,0,0,0,0|1,0,1]=4 1619 B12R1.16 CCNC(=O)C1CCN(CC1)C 527a_100015525214_100000743488 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.16 CCNC(=O)N1CC=C(CC1)C 2708a_100015525214_100000693516 [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.16 CCNC(=O)N1CC=C(CC1)C 273464a_100015525214_100000693516 [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [0,2,0,0,0,0|0,0,2]=4 1623 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [0,2,0,0,0,0|0,0,2]=4 1624 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [0,2,0,0,0,0|0,0,2]=4 1625 B12R1.16 CCNC(C)C1CC=C(CC1)C 269862a_100015525214_100000073480 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.16 CCNC(C)C1CC=C(CC1)C 270004a_100015525214_100000073480 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.16 CCOC(=O)C1CCN(CC1)C 2230a_100000210402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.16 CCOC(=O)C1CCN(CC1)C 269982a_100000210402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 2230a_100000210402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 269982a_100000210402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.16 CN1CCC(CC1)C(=O)CC#N 1458a_100000743488_100011214920 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.16 CN1CCC(CC1)C(=O)CCF 1458a_100000743488_100011217306 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.16 CN1CCC(CC1)C(=O)CCO 1458a_100000743488_100000211926 [0,2,0,0,0,0|1,0,1]=4 1634 B12R1.16 CNNC(=O)C1CC=C(CC1)C 22a_100016993582_100000137427 [0,2,0,0,0,0|0,0,0]=2 1635 B12R1.16 CNNC(=O)C1CCC(=O)NC1 22a_100016993582_100000740907 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.16 CNNC(=O)C1CCN(CC1)C 22a_100016993582_100000743488 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.16 CNNC(=O)[C@H]1CC[C@@H](CC1)C 22a_100016993582_100009815934 [0,2,0,0,0,0|0,0,2]=4 1638 B12R1.16 COCC(=O)C1CCC(CC1)C 1458a_100000210968_200011216234 [0,2,0,0,0,0|0,0,2]=4 1639 B12R1.16 COCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210968 [0,2,0,0,0,0|1,0,0]=3 1640 B12R1.16 COCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210968 [0,2,0,0,0,0|1,0,0]=3 1641 B12R1.16 COCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210968 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.16 COCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210968 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.16 CSCC(=O)C1CCC(CC1)C 1458a_100000184570_200011216234 [0,2,0,0,0,0|0,0,2]=4 1644 B12R1.16 CSCC(=O)N1CC=C(CC1)C 11a_100000693516_100000184570 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.16 CSCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000184570 [0,2,0,0,0,0|1,0,0]=3 1646 B12R1.16 CSCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000184570 [0,2,0,0,0,0|1,0,0]=3 1647 B12R1.16 CSCC(=O)N1CC=C(CC1)C 527a_100000693516_100000184570 [0,2,0,0,0,0|1,0,0]=3 1648 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CC#N 1458a_100009815934_100011214920 [0,2,0,0,0,0|0,0,2]=4 1649 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100009815934_100011217306 [0,2,0,0,0,0|0,0,2]=4 1650 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,2,0,0,0,0|0,0,2]=4 1651 B12R1.16 N#CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100011214920 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.16 O=C1CCC(CN1)C(=O)CCF 1458a_100000740907_100011217306 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.16 O=C1CCC(CN1)C(=O)CCO 1458a_100000740907_100000211926 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.3435 CCC(=O)C1(CCN(CC1)C)O 1458a_100015186493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1655 B12R1.3435 CN1CCC(CC1)(O)C(=O)CF 1458a_100015186493_100015361967 [0,2,0,0,0,0|1,0,1]=4 1656 B12R1.3435 CNC(=O)C1(CCN(CC1)C)C 2230a_100015184594_200000210301 [0,2,0,0,0,0|1,0,1]=4 1657 B12R1.3435 CNC(=O)C1(CCN(CC1)C)C 269982a_100015184594_200000210301 [0,2,0,0,0,0|1,0,1]=4 1658 B12R1.3435 CNC(=O)C1(CCN(CC1)C)C 34a_100015184594_200000210301 [0,2,0,0,0,0|1,0,1]=4 1659 B12R1.3435 CNC(=O)C1(CCN(CC1)C)O 240690a_100102657272_100015186493 [0,2,0,0,0,0|1,0,1]=4 1660 B12R1.3435 CNC(=O)C1(CCN(CC1)[13CH3])C 2230a_100015184594_200025704644 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.3435 CNC(=O)C1(CCN(CC1)[13CH3])C 269982a_100015184594_200025704644 [0,2,0,0,0,0|1,0,1]=4 1662 B12R1.3435 CNC(=O)C1(CCN(CC1)[13CH3])C 34a_100015184594_200025704644 [0,2,0,0,0,0|1,0,1]=4 1663 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 2230a_100015186586_200000210301 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 269982a_100015186586_200000210301 [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 34a_100015186586_200000210301 [0,2,0,0,0,0|1,0,1]=4 1666 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 2230a_100000696052_200000210301 [0,2,0,0,0,0|1,0,1]=4 1667 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 269982a_100000696052_200000210301 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 34a_100000696052_200000210301 [0,2,0,0,0,0|1,0,1]=4 1669 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 2230a_100015186586_200025704644 [0,2,0,0,0,0|1,0,1]=4 1670 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 269982a_100015186586_200025704644 [0,2,0,0,0,0|1,0,1]=4 1671 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 34a_100015186586_200025704644 [0,2,0,0,0,0|1,0,1]=4 1672 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 2230a_100000696052_200025704644 [0,2,0,0,0,0|1,0,1]=4 1673 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 269982a_100000696052_200025704644 [0,2,0,0,0,0|1,0,1]=4 1674 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 34a_100000696052_200025704644 [0,2,0,0,0,0|1,0,1]=4 1675 B12R1.3824 C=C(C)C1(CC=C(CC1)C)OC 34a_200011068618_200000210301 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.3824 C=C(C)C1(CC=C(CC1)C)OC 7a_200011068618_200000210301 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.3824 C=C(C)C1(CC=C(CC1)C)O[13CH3] 34a_200011068618_200025704644 [0,2,0,0,0,0|1,0,0]=3 1678 B12R1.3824 C=C(C)C1(CC=C(CC1)C)O[13CH3] 7a_200011068618_200025704644 [0,2,0,0,0,0|1,0,0]=3 1679 B12R1.3824 CC(=O)C1(CCN(CC1)C)C#N 1458a_114929133291_200000210301 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.3824 CC1=CC[C@@](CC1)(O[13CH3])C(C)C 34a_100015801551_200025704644 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.3824 CC1=CC[C@@](CC1)(O[13CH3])C(C)C 7a_100015801551_200025704644 [0,2,0,0,0,0|1,0,1]=4 1682 B12R1.3824 CN1CCC(CC1)(C#N)C(=O)[13CH3] 1458a_114929133291_200025704644 [0,2,0,0,0,0|1,0,1]=4 1683 B12R1.3824 CO[C@]1(CC=C(CC1)C)C(C)C 34a_100015801551_200000210301 [0,2,0,0,0,0|1,0,1]=4 1684 B12R1.3824 CO[C@]1(CC=C(CC1)C)C(C)C 7a_100015801551_200000210301 [0,2,0,0,0,0|1,0,1]=4 1685 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,1,1,0,0|2,0,0]=4 1686 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,1,1,0,0|1,0,1]=4 1687 B10R1.54 CC(=O)CN1CCC(=N1)C 1458a_100015183194_200000210301 [0,0,1,1,0,0|2,0,0]=4 1688 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,1,1,0,0|2,0,0]=4 1689 B10R1.54 CC1=NN(CC1)CC(=O)[13CH3] 1458a_100015183194_200025704644 [0,0,1,1,0,0|2,0,0]=4 1690 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,1,1,0,0|2,0,0]=4 1691 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,1,1,0,0|1,0,1]=4 1692 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,1,1,0,0|1,0,1]=4 1693 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,1,1,0,0|1,0,1]=4 1694 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,1,1,0,0|1,0,1]=4 1695 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,1,1,0,0|1,0,1]=4 1696 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,0,1,1,0,0|1,0,1]=4 1697 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,0,1,1,0,0|1,0,1]=4 1698 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,0,1,1,0,0|1,0,1]=4 1699 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,0,1,1,0,0|1,0,1]=4 1700 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,0,1,1,0,0|1,0,1]=4 1701 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,0,1,1,0,0|1,0,1]=4 1702 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,0,1,1,0,0|2,0,0]=4 1703 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,0,1,1,0,0|2,0,0]=4 1704 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,0,1,1,0,0|1,0,1]=4 1705 B10R1.349 CC(=O)C1CN(C1)C(=O)C 1458a_100000754717_200000210301 [0,0,1,1,0,0|2,0,0]=4 1706 B10R1.349 CC(=O)C1CN(C1)C(C)C 1458a_100011935012_200000210301 [0,0,1,1,0,0|1,0,1]=4 1707 B10R1.349 CC(=O)N1CC(C1)C(=O)[13CH3] 1458a_100000754717_200025704644 [0,0,1,1,0,0|2,0,0]=4 1708 B10R1.349 CC(C)N1CC(C1)C(=O)[13CH3] 1458a_100011935012_200025704644 [0,0,1,1,0,0|1,0,1]=4 1709 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,1,1,0,0|0,0,2]=4 1710 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,1,1,0,0|0,0,2]=4 1711 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,1,1,0,0|0,0,2]=4 1712 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,1,1,0,0|0,0,2]=4 1713 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,1,1,0,0|0,0,2]=4 1714 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [1,0,0,1,0,0|1,0,1]=4 1715 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [1,0,0,1,0,0|1,0,1]=4 1716 B12R2.1209 CN1CCC2(CC1)CC(=O)N2 2230a_100000746869_200000210301 [0,0,0,1,0,1|1,0,1]=4 1717 B12R2.1209 CN1CCC2(CC1)CC(=O)N2 34a_100000746869_200000210301 [0,0,0,1,0,1|1,0,1]=4 1718 B12R2.1209 [13CH3]N1CCC2(CC1)CC(=O)N2 2230a_100000746869_200025704644 [0,0,0,1,0,1|1,0,1]=4 1719 B12R2.1209 [13CH3]N1CCC2(CC1)CC(=O)N2 34a_100000746869_200025704644 [0,0,0,1,0,1|1,0,1]=4 1720 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,1,0,1|0,0,2]=4 1721 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,1,0,1|0,0,2]=4 1722 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,1,0,1|0,0,2]=4 1723 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,1,0,1|0,0,2]=4 1724 B12R2.3199 CC(=O)C1CCC2(CC1)CC2 1458a_100000103586_200000210301 [0,1,0,1,0,0|0,0,2]=4 1725 B12R2.3199 [13CH3]C(=O)C1CCC2(CC1)CC2 1458a_100000103586_200025704644 [0,1,0,1,0,0|0,0,2]=4 1726 B12R2.6473 CC(=O)C12CCC(CC1)CC2 1458a_100000687502_200000210301 [0,1,0,1,0,0|0,0,2]=4 1727 B12R2.6473 CC(=O)C12CCN(CC1)CC2 1458a_200000695605_200000210301 [0,1,0,1,0,0|1,0,1]=4 1728 B12R2.6473 [13CH3]C(=O)C12CCC(CC1)CC2 1458a_100000687502_200025704644 [0,1,0,1,0,0|0,0,2]=4 1729 B12R2.6473 [13CH3]C(=O)C12CCN(CC1)CC2 1458a_200000695605_200025704644 [0,1,0,1,0,0|1,0,1]=4 1730 B12R2.217 CN1CCC2(CC1)CNC2=O 2230a_100000137156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1731 B12R2.217 CN1CCC2(CC1)CNC2=O 269982a_100000137156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1732 B12R2.217 CN1CCC2(CC1)CNC2=O 34a_100000137156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1733 B12R2.217 [13CH3]N1CCC2(CC1)CNC2=O 2230a_100000137156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1734 B12R2.217 [13CH3]N1CCC2(CC1)CNC2=O 269982a_100000137156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1735 B12R2.217 [13CH3]N1CCC2(CC1)CNC2=O 34a_100000137156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1736 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)C 2230a_100103147422_200000210301 [0,1,0,1,0,0|1,0,1]=4 1737 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)C 269982a_100103147422_200000210301 [0,1,0,1,0,0|1,0,1]=4 1738 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)C 34a_100103147422_200000210301 [0,1,0,1,0,0|1,0,1]=4 1739 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)[13CH3] 2230a_100103147422_200025704644 [0,1,0,1,0,0|1,0,1]=4 1740 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)[13CH3] 269982a_100103147422_200025704644 [0,1,0,1,0,0|1,0,1]=4 1741 B12R2.1562 COC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)[13CH3] 34a_100103147422_200025704644 [0,1,0,1,0,0|1,0,1]=4 1742 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,0,1,0,1,0|1,0,0]=3 1743 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,0,1,0,1,0|1,0,0]=3 1744 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,0,1,0,1,0|1,0,0]=3 1745 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,1,0,1,0|0,0,1]=3 1746 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,1,0,1,0|1,0,0]=3 1747 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,1,0,1,0|1,0,1]=4 1748 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,1,0,1,0|1,0,1]=4 1749 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,1,0,1,0|1,0,1]=4 1750 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,1,0,1,0|1,0,1]=4 1751 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,1,0,1,0|2,0,0]=4 1752 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,1,0,1,0|2,0,0]=4 1753 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,1,0,1,0|1,0,1]=4 1754 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,1,0,1,0|1,0,1]=4 1755 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,1,0,1,0|1,0,1]=4 1756 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,1,0,1,0|1,0,1]=4 1757 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,1,0,1,0|2,0,0]=4 1758 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,1,0,1,0|2,0,0]=4 1759 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,1,0,1,0|2,0,0]=4 1760 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,1,0,1,0|2,0,0]=4 1761 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,1,0,1,0|2,0,0]=4 1762 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,1,0,1,0|1,0,1]=4 1763 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,1,0,1,0|1,0,1]=4 1764 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,1,0,1,0|1,0,0]=3 1765 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,0,1,0|1,0,1]=4 1766 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [1,0,0,0,1,0|2,0,0]=4 1767 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,0,1,0|1,0,1]=4 1768 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [1,0,0,0,1,0|2,0,0]=4 1769 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,0,1,0|2,0,0]=4 1770 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,0,1,0|1,0,1]=4 1771 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [1,0,0,0,1,0|2,0,0]=4 1772 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [1,0,0,0,1,0|2,0,0]=4 1773 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [1,0,0,0,1,0|2,0,0]=4 1774 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [1,0,0,0,1,0|2,0,0]=4 1775 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [1,0,0,0,1,0|2,0,0]=4 1776 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,0,1,0|2,0,0]=4 1777 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,1,0|0,0,2]=4 1778 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,1,0|1,0,1]=4 1779 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,1,0|0,0,0]=2 1780 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,1,0|0,0,1]=3 1781 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,1,0|0,0,1]=3 1782 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,1,0|1,0,1]=4 1783 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,1,0|1,0,0]=3 1784 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,1,0|1,0,0]=3 1785 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,0,1,0|1,0,0]=3 1786 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,0,1,0|1,0,0]=3 1787 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,0,1,0|1,0,1]=4 1788 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,0,1,0|1,0,1]=4 1789 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,0,1,0|2,0,0]=4 1790 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,0,1,0|2,0,0]=4 1791 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,0,1,0|2,0,0]=4 1792 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,1,0|1,0,1]=4 1793 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,1,0|0,0,2]=4 1794 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,1,0|1,0,1]=4 1795 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,1,0|0,0,0]=2 1796 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,1,0|0,0,1]=3 1797 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,1,0|1,0,1]=4 1798 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,1,0|1,0,0]=3 1799 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,1,0|1,0,1]=4 1800 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,0,2,0|0,0,1]=3 1801 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,0,2,0|0,0,1]=3 1802 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,0,2,0|0,0,1]=3 1803 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,0,2,0|1,0,1]=4 1804 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,0,2,0|1,0,0]=3 1805 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,0,2,0|1,0,1]=4 1806 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,0,2,0|1,0,1]=4 1807 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,0,2,0|1,0,1]=4 1808 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,0,2,0|2,0,0]=4 1809 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,0,2,0|1,0,1]=4 1810 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,0,2,0|0,0,1]=3 1811 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,0,2,0|2,0,0]=4 1812 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,0,2,0|1,0,0]=3 1813 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,0,2,0|1,0,1]=4 1814 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,0,2,0|2,0,0]=4 1815 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,0,2,0|1,0,1]=4 1816 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,0,2,0|2,0,0]=4 1817 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,0,2,0|1,0,0]=3 1818 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,0,2,0|1,0,1]=4 1819 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,0,2,0|1,0,1]=4 1820 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,0,2,0|1,0,1]=4 1821 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,0,2,0|2,0,0]=4 1822 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,0,2,0|2,0,0]=4 1823 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,0,1,0,0,1|1,0,1]=4 1824 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,0,1,0,0,1|1,0,1]=4 1825 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,0,1,0,0,1|1,0,1]=4 1826 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,0,1,0,0,1|0,0,2]=4 1827 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,0,1,0,0,1|0,0,2]=4 1828 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,0,1,0,0,1|0,0,2]=4 1829 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,1,0,0,1|1,0,1]=4 1830 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,1,0,0,1|1,0,1]=4 1831 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,1,0,0,1|1,0,1]=4 1832 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,1,0,0,1|1,0,1]=4 1833 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,1,0,0,1|1,0,1]=4 1834 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,1,0,0,1|1,0,1]=4 1835 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,1,0,0,1|1,0,1]=4 1836 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,1,0,0,1|2,0,0]=4 1837 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,1,0,0,1|2,0,0]=4 1838 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,1,0,0,1|2,0,0]=4 1839 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,1,0,0,1|2,0,0]=4 1840 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,1,0,0,1|2,0,0]=4 1841 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,1,0,0,1|2,0,0]=4 1842 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,1,0,0,1|2,0,0]=4 1843 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,1,0,0,1|2,0,0]=4 1844 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,1,0,0,1|2,0,0]=4 1845 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,1,0,0,1|2,0,0]=4 1846 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,1,0,0,1|2,0,0]=4 1847 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,1,0,0,1|2,0,0]=4 1848 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,0,1,0,0,1|0,0,2]=4 1849 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,0,1,0,0,1|0,0,2]=4 1850 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,0,1,0,0,1|0,0,2]=4 1851 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,0,1,0,0,1|0,0,2]=4 1852 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,0,1,0,0,1|1,0,1]=4 1853 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,0,1,0,0,1|1,0,1]=4 1854 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,0,1,0,0,1|0,0,2]=4 1855 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,0,1,0,0,1|0,0,2]=4 1856 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,0,1,0,0,1|0,0,2]=4 1857 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,0,1,0,0,1|1,0,1]=4 1858 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,0,1,0,0,1|1,0,1]=4 1859 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,0,1,0,0,1|1,0,1]=4 1860 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,0,1,0,0,1|0,0,2]=4 1861 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,0,1,0,0,1|0,0,2]=4 1862 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,0,1,0,0,1|1,0,1]=4 1863 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,0,1,0,0,1|1,0,1]=4 1864 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,0,1,0,0,1|1,0,1]=4 1865 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,0,1,0,0,1|1,0,1]=4 1866 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,0,1,0,0,1|1,0,1]=4 1867 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,0,1,0,0,1|1,0,1]=4 1868 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,0,1,0,0,1|1,0,1]=4 1869 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,0,1,0,0,1|1,0,1]=4 1870 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,0,1,0,0,1|0,0,2]=4 1871 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,0,1,0,0,1|0,0,2]=4 1872 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,0,1,0,0,1|0,0,2]=4 1873 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,0,1,0,0,1|0,0,2]=4 1874 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,0,1,0,0,1|0,0,2]=4 1875 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,0,1,0,0,1|2,0,0]=4 1876 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,0,1,0,0,1|2,0,0]=4 1877 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,0,1,0,0,1|2,0,0]=4 1878 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,0,1,0,0,1|2,0,0]=4 1879 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,0,1,0,0,1|2,0,0]=4 1880 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,0,1,0,0,1|2,0,0]=4 1881 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,0,1,0,0,1|2,0,0]=4 1882 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,0,1,0,0,1|2,0,0]=4 1883 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,0,1,0,0,1|2,0,0]=4 1884 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,0,1,0,0,1|2,0,0]=4 1885 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,0,1,0,0,1|2,0,0]=4 1886 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,0,1,0,0,1|2,0,0]=4 1887 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,0,1,0,0,1|2,0,0]=4 1888 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,0,1,0,0,1|2,0,0]=4 1889 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,0,1,0,0,1|2,0,0]=4 1890 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,0,1,0,0,1|2,0,0]=4 1891 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,0,1,0,0,1|2,0,0]=4 1892 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,0,1,0,0,1|2,0,0]=4 1893 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,0,1,0,0,1|2,0,0]=4 1894 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,0,1,0,0,1|2,0,0]=4 1895 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,0,1,0,0,1|2,0,0]=4 1896 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,0,1,0,0,1|2,0,0]=4 1897 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,0,1,0,0,1|2,0,0]=4 1898 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,0,1,0,0,1|2,0,0]=4 1899 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,0,1,0,0,1|1,0,1]=4 1900 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,0,1,0,0,1|1,0,1]=4 1901 B10R0.96 C=C(C)CCN(C)CC(=C)C 2230a_100000225649_100000730704 [0,0,1,0,0,1|2,0,0]=4 1902 B10R0.96 C=C(C)CCN(C)CC(=C)C 269982a_100000225649_100000730704 [0,0,1,0,0,1|2,0,0]=4 1903 B10R0.96 C=C(C)CCN(C)CC(=O)N 2230a_100000739694_100000730704 [0,0,1,0,0,1|2,0,0]=4 1904 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,1,0,0,1|2,0,0]=4 1905 B10R0.96 C=C(C)CN(C)CC=C(C)C 2230a_100000225649_100000761012 [0,0,1,0,0,1|2,0,0]=4 1906 B10R0.96 C=C(C)CN(C)CC=C(C)C 269982a_100000225649_100000761012 [0,0,1,0,0,1|2,0,0]=4 1907 B10R0.96 C=C(C)COC(C)C=C(C)C 34a_100000717055_100000748629 [0,0,1,0,0,1|2,0,0]=4 1908 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,0,1,0,0,1|1,0,0]=3 1909 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,0,1,0,0,1|1,0,0]=3 1910 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100000042424_100009818208 [0,0,1,0,0,1|2,0,0]=4 1911 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100009818208_100000042424 [0,0,1,0,0,1|2,0,0]=4 1912 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,0,1,0,0,1|2,0,0]=4 1913 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,1,0,0,1|2,0,0]=4 1914 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,1,0,0,1|2,0,0]=4 1915 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,1,0,0,1|0,0,2]=4 1916 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,1,0,0,1|0,0,2]=4 1917 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,1,0,0,1|0,0,2]=4 1918 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,1,0,0,1|0,0,2]=4 1919 B10R0.87 C/C=C/CN(CC)CC(=O)O 269956a_100000746405_100102629194 [0,0,1,0,0,1|2,0,0]=4 1920 B10R0.87 C=C(C)CN(CC)C/C=C/C 269982a_100000211296_100102629194 [0,0,1,0,0,1|2,0,0]=4 1921 B10R0.87 C=C(C)CN(CC)CC=CC 2230a_100000211296_100000070051 [0,0,1,0,0,1|2,0,0]=4 1922 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,0,1,0,0,1|0,0,2]=4 1923 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,0,1,0,0,1|1,0,1]=4 1924 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,0,1,0,0,1|1,0,1]=4 1925 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,0,1,0,0,1|2,0,0]=4 1926 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,0,1,0,0,1|2,0,0]=4 1927 B10R1.18 C=C(C)CN1CC=CCC1 2230a_100000698166_100000748629 [1,0,0,0,0,1|2,0,0]=4 1928 B10R1.18 C=C(C)CN1CC=CCC1 269982a_100000698166_100000748629 [1,0,0,0,0,1|2,0,0]=4 1929 B10R1.18 C=C(C)CN1CC=CCC1 34a_100000698166_100000748629 [1,0,0,0,0,1|2,0,0]=4 1930 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,0,0,1|0,0,2]=4 1931 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,0,0,1|0,0,2]=4 1932 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,0,0,1|1,0,1]=4 1933 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,0,0,1|1,0,1]=4 1934 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,0,0,1|1,0,1]=4 1935 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,0,0,1|1,0,1]=4 1936 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,0,0,1|0,0,2]=4 1937 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,0,0,1|0,0,2]=4 1938 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,0,0,1|0,0,2]=4 1939 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,0,0,1|0,0,2]=4 1940 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,0,0,1|1,0,1]=4 1941 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,0,0,1|1,0,1]=4 1942 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,0,0,1|1,0,1]=4 1943 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,0,0,1|1,0,1]=4 1944 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,0,0,1|1,0,1]=4 1945 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,0,0,1|1,0,1]=4 1946 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,0,0,1|1,0,1]=4 1947 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,0,0,1|1,0,1]=4 1948 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,0,0,1|1,0,1]=4 1949 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,0,0,1|1,0,1]=4 1950 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,0,0,1|1,0,1]=4 1951 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,0,0,1|1,0,1]=4 1952 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [1,0,0,0,0,1|1,0,1]=4 1953 B10R1.18 CN(C)CC1CC=CCC1 270004a_100102631434_100000189434 [1,0,0,0,0,1|2,0,0]=4 1954 B10R1.18 NC(=O)CN1CC=CCC1 2230a_100000698166_100000747473 [1,0,0,0,0,1|2,0,0]=4 1955 B10R1.18 NC(=O)CN1CC=CCC1 269982a_100000698166_100000187820 [1,0,0,0,0,1|2,0,0]=4 1956 B10R1.18 NC(=O)CN1CC=CCC1 34a_100000698166_100000187820 [1,0,0,0,0,1|2,0,0]=4 1957 B10R1.18 O=C([O-])CN1CC=CCC1 269982a_100000698166_100020667443 [1,0,0,0,0,1|2,0,0]=4 1958 B10R1.18 O=C([O-])CN1CC=CCC1 34a_100000698166_100020667443 [1,0,0,0,0,1|2,0,0]=4 1959 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,0,0,1|0,0,2]=4 1960 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,0,0,1|1,0,1]=4 1961 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,0,0,1|1,0,1]=4 1962 B12R1.21 C=C(C)CCN1CC=C(CC1)C 2230a_100000693516_100000730704 [0,0,0,0,0,2|2,0,0]=4 1963 B12R1.21 C=C(C)CCN1CC=C(CC1)C 269982a_100000693516_100000730704 [0,0,0,0,0,2|2,0,0]=4 1964 B12R1.21 C=C(C)CCN1CC=C(CC1)C 34a_100000693516_100000730704 [0,0,0,0,0,2|2,0,0]=4 1965 B12R1.21 CC(=CCN1CC=C(CC1)C)C 2230a_100000693516_100000761012 [0,0,0,0,0,2|2,0,0]=4 1966 B12R1.21 CC(=CCN1CC=C(CC1)C)C 269982a_100000693516_100000761012 [0,0,0,0,0,2|2,0,0]=4 1967 B12R1.21 CC(=CCN1CC=C(CC1)C)C 34a_100000693516_100000761012 [0,0,0,0,0,2|2,0,0]=4 1968 B12R1.21 CC(=O)CCN1CC=C(CC1)C 269982a_100000693516_100000053229 [0,0,0,0,0,2|1,0,0]=3 1969 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,0,0,0,0,2|0,0,2]=4 1970 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,0,0,0,0,2|0,0,2]=4 1971 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,0,0,0,0,2|0,0,2]=4 1972 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,0,0,0,0,2|0,0,2]=4 1973 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,0,0,0,0,2|0,0,2]=4 1974 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,0,0,0,0,2|1,0,1]=4 1975 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,0,0,0,0,2|1,0,1]=4 1976 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,0,0,0,0,2|1,0,1]=4 1977 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,0,0,0,0,2|1,0,1]=4 1978 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,0,0,0,0,2|1,0,1]=4 1979 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,0,0,0,0,2|1,0,1]=4 1980 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,0,0,0,0,2|1,0,1]=4 1981 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,0,0,0,0,2|1,0,1]=4 1982 B12R1.21 CC(=O)NNC1CCN(CC1)C 22a_100015184029_100000070787 [0,0,0,0,0,2|1,0,1]=4 1983 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,0,0,0,0,2|1,0,1]=4 1984 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,0,0,0,0,2|1,0,1]=4 1985 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,0,0,0,0,2|1,0,1]=4 1986 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,0,0,0,0,2|1,0,1]=4 1987 B12R1.21 CC(=O)OCN1CC=C(CC1)C 269982a_100000693516_100000076356 [0,0,0,0,0,2|1,0,0]=3 1988 B12R1.21 CC(=O)OCN1CC=C(CC1)C 34a_100000693516_100009813279 [0,0,0,0,0,2|1,0,0]=3 1989 B12R1.21 CC1=CCN(CC1)CCC(=O)N 2230a_100000693516_100000744528 [0,0,0,0,0,2|2,0,0]=4 1990 B12R1.21 CC1=CCN(CC1)CCC(=O)N 269982a_100000693516_100000744528 [0,0,0,0,0,2|2,0,0]=4 1991 B12R1.21 CC1=CCN(CC1)CCC(=O)N 34a_100000693516_100000731001 [0,0,0,0,0,2|2,0,0]=4 1992 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,1,0,0,0|1,0,0]=4 1993 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,1,0,0,0|1,0,0]=4 1994 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,1,0,0,0|1,0,0]=4 1995 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,1,0,0,0|1,0,0]=4 1996 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,1,0,0,0|1,0,0]=4 1997 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,1,0,0,0|1,0,0]=4 1998 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,1,0,0,0|1,0,0]=4 1999 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,1,0,0,0|1,0,0]=4 2000 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,1,0,0,0|1,0,0]=4 2001 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,1,0,0,0|1,0,0]=4 2002 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,1,0,0,0|1,0,0]=4 2003 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,1,0,0,0|1,0,0]=4 2004 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,1,0,0,0|1,0,0]=4 2005 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,1,0,0,0|1,0,0]=4 2006 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,1,0,0,0|1,0,0]=4 2007 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,1,0,0,0|1,0,0]=4 2008 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,1,0,0,0|1,0,0]=4 2009 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,1,0,0,0|1,0,0]=4 2010 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,1,0,0,0|1,0,0]=4 2011 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,1,0,0,0|0,0,1]=4 2012 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [2,0,1,0,0,0|1,0,0]=4 2013 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [2,0,1,0,0,0|1,0,0]=4 2014 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [2,0,1,0,0,0|1,0,0]=4 2015 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [2,0,1,0,0,0|1,0,0]=4 2016 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [2,0,1,0,0,0|1,0,0]=4 2017 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [2,0,1,0,0,0|1,0,0]=4 2018 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,1,0,0,0|0,0,1]=4 2019 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,1,0,0,0|0,0,1]=4 2020 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [2,0,1,0,0,0|1,0,0]=4 2021 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [2,0,1,0,0,0|1,0,0]=4 2022 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [2,0,1,0,0,0|1,0,0]=4 2023 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [2,0,1,0,0,0|1,0,0]=4 2024 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,1,0,0,0|0,0,0]=3 2025 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,1,0,0,0|0,0,0]=3 2026 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,1,0,0,0|0,0,0]=3 2027 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,1,0,0,0|1,0,0]=4 2028 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,1,0,0,0|1,0,0]=4 2029 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,1,0,0,0|1,0,0]=4 2030 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,1,0,0,0|1,0,0]=4 2031 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,1,0,0,0|1,0,0]=4 2032 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,1,0,0,0|1,0,0]=4 2033 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,1,0,0,0|1,0,0]=4 2034 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,1,0,0,0|1,0,0]=4 2035 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [2,0,1,0,0,0|1,0,0]=4 2036 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [2,0,1,0,0,0|1,0,0]=4 2037 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,1,0,0,0|1,0,0]=4 2038 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,1,0,0,0|1,0,0]=4 2039 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,1,0,0,0|1,0,0]=4 2040 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,1,0,0,0|1,0,0]=4 2041 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,1,0,0,0|0,0,0]=3 2042 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,1,0,0,0|0,0,0]=3 2043 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,1,0,0,0|0,0,0]=3 2044 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,1,0,0,0|0,0,1]=4 2045 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,1,0,0,0|0,0,1]=4 2046 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,1,0,0,0|0,0,1]=4 2047 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,1,0,0,0|1,0,0]=4 2048 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,1,0,0,0|1,0,0]=4 2049 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,1,0,0,0|1,0,0]=4 2050 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,1,0,0,0|1,0,0]=4 2051 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,1,0,0,0|1,0,0]=4 2052 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,1,0,0,0|1,0,0]=4 2053 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,1,0,0,0|1,0,0]=4 2054 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,1,0,0,0|1,0,0]=4 2055 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,1,0,0,0|1,0,0]=4 2056 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,1,0,0,0|1,0,0]=4 2057 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,1,0,0,0|1,0,0]=4 2058 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,1,0,0,0|1,0,0]=4 2059 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [2,0,1,0,0,0|1,0,0]=4 2060 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [2,0,1,0,0,0|1,0,0]=4 2061 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [2,0,1,0,0,0|1,0,0]=4 2062 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,1,0,0,0|1,0,0]=4 2063 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,1,0,0,0|1,0,0]=4 2064 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [2,0,1,0,0,0|1,0,0]=4 2065 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,1,0,0,0|1,0,0]=4 2066 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,1,0,0,0|1,0,0]=4 2067 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,1,0,0,0|1,0,0]=4 2068 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,1,0,0,0|1,0,0]=4 2069 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,1,0,0,0|1,0,0]=4 2070 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,1,0,0,0|1,0,0]=4 2071 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [2,0,1,0,0,0|1,0,0]=4 2072 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [2,0,1,0,0,0|1,0,0]=4 2073 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,1,0,0,0|1,0,0]=4 2074 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,1,0,0,0|1,0,0]=4 2075 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,1,0,0,0|1,0,0]=4 2076 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,1,0,0,0|1,0,0]=4 2077 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [2,0,1,0,0,0|0,0,0]=3 2078 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [2,0,1,0,0,0|0,0,0]=3 2079 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [2,0,1,0,0,0|1,0,0]=4 2080 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [2,0,1,0,0,0|1,0,0]=4 2081 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [2,0,1,0,0,0|1,0,0]=4 2082 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [2,0,1,0,0,0|1,0,0]=4 2083 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,1,0,0,0|1,0,0]=4 2084 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,1,0,0,0|1,0,0]=4 2085 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,1,0,0,0|1,0,0]=4 2086 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,1,0,0,0|0,0,0]=3 2087 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,1,0,0,0|0,0,0]=3 2088 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,1,0,0,0|0,0,0]=3 2089 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,1,0,0,0|1,0,0]=4 2090 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,1,0,0,0|1,0,0]=4 2091 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,1,0,0,0|1,0,0]=4 2092 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,1,0,0,0|1,0,0]=4 2093 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,1,0,0,0|1,0,0]=4 2094 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,1,0,0,0|1,0,0]=4 2095 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,1,0,0,0|1,0,0]=4 2096 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,1,0,0,0|1,0,0]=4 2097 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,1,0,0,0|1,0,0]=4 2098 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,1,0,0,0|1,0,0]=4 2099 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,1,0,0,0|1,0,0]=4 2100 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,1,0,0,0|1,0,0]=4 2101 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,1,0,0,0|1,0,0]=4 2102 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,1,0,0,0|1,0,0]=4 2103 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,1,0,0,0|1,0,0]=4 2104 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,1,0,0,0|1,0,0]=4 2105 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,1,0,0,0|1,0,0]=4 2106 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,1,0,0,0|1,0,0]=4 2107 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,1,0,0,0|1,0,0]=4 2108 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,1,0,0,0|1,0,0]=4 2109 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,1,0,0,0|1,0,0]=4 2110 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [2,0,1,0,0,0|0,0,1]=4 2111 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [2,0,1,0,0,0|0,0,1]=4 2112 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [2,0,1,0,0,0|0,0,1]=4 2113 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [2,0,1,0,0,0|1,0,0]=4 2114 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [2,0,1,0,0,0|1,0,0]=4 2115 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [2,0,1,0,0,0|1,0,0]=4 2116 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [2,0,1,0,0,0|1,0,0]=4 2117 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [2,0,1,0,0,0|1,0,0]=4 2118 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [2,0,1,0,0,0|1,0,0]=4 2119 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [2,0,1,0,0,0|1,0,0]=4 2120 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [2,0,1,0,0,0|1,0,0]=4 2121 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [2,0,1,0,0,0|0,0,1]=4 2122 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [2,0,1,0,0,0|1,0,0]=4 2123 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [2,0,1,0,0,0|1,0,0]=4 2124 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [2,0,1,0,0,0|0,0,1]=4 2125 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [2,0,1,0,0,0|0,0,1]=4 2126 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [2,0,1,0,0,0|1,0,0]=4 2127 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [2,0,1,0,0,0|1,0,0]=4 2128 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [2,0,1,0,0,0|1,0,0]=4 2129 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,1,0,0,0|0,0,0]=3 2130 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,1,0,0,0|0,0,0]=3 2131 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,1,0,0,0|0,0,0]=3 2132 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [2,0,1,0,0,0|1,0,0]=4 2133 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [2,0,1,0,0,0|1,0,0]=4 2134 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [2,0,1,0,0,0|1,0,0]=4 2135 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [2,0,1,0,0,0|1,0,0]=4 2136 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [2,0,1,0,0,0|1,0,0]=4 2137 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [2,0,1,0,0,0|1,0,0]=4 2138 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [3,0,0,0,0,0|1,0,0]=4 2139 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [3,0,0,0,0,0|1,0,0]=4 2140 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [3,0,0,0,0,0|1,0,0]=4 2141 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [3,0,0,0,0,0|1,0,0]=4 2142 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [3,0,0,0,0,0|1,0,0]=4 2143 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [3,0,0,0,0,0|1,0,0]=4 2144 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [1,1,1,0,0,0|1,0,0]=4 2145 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [1,1,1,0,0,0|1,0,0]=4 2146 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,1,1,0,0,0|0,0,0]=3 2147 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,1,1,0,0,0|0,0,0]=3 2148 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [1,1,1,0,0,0|1,0,0]=4 2149 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [1,1,1,0,0,0|1,0,0]=4 2150 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [1,1,1,0,0,0|1,0,0]=4 2151 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [1,1,1,0,0,0|1,0,0]=4 2152 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,1,1,0,0,0|0,0,0]=3 2153 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,1,1,0,0,0|0,0,0]=3 2154 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,1,1,0,0,0|1,0,0]=4 2155 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,1,1,0,0,0|1,0,0]=4 2156 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,1,1,0,0,0|1,0,0]=4 2157 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,1,1,0,0,0|1,0,0]=4 2158 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [1,1,1,0,0,0|1,0,0]=4 2159 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [1,1,1,0,0,0|1,0,0]=4 2160 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [1,1,1,0,0,0|1,0,0]=4 2161 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [1,1,1,0,0,0|1,0,0]=4 2162 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [1,1,1,0,0,0|1,0,0]=4 2163 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [1,1,1,0,0,0|1,0,0]=4 2164 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [1,1,1,0,0,0|1,0,0]=4 2165 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,1,0,0,0|1,0,0]=4 2166 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,1,0,0,0|1,0,0]=4 2167 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [1,1,1,0,0,0|1,0,0]=4 2168 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,1,0,0,0|1,0,0]=4 2169 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,1,0,0,0|1,0,0]=4 2170 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,1,1,0,0,0|1,0,0]=4 2171 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,1,0,0,0|1,0,0]=4 2172 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,1,1,0,0,0|0,0,0]=3 2173 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,1,1,0,0,0|1,0,0]=4 2174 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [1,1,1,0,0,0|1,0,0]=4 2175 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,1,1,0,0,0|1,0,0]=4 2176 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,1,1,0,0,0|1,0,0]=4 2177 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [1,1,1,0,0,0|1,0,0]=4 2178 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [1,1,1,0,0,0|1,0,0]=4 2179 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,1,1,0,0,0|0,0,0]=3 2180 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,1,1,0,0,0|0,0,0]=3 2181 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [1,1,1,0,0,0|1,0,0]=4 2182 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [1,1,1,0,0,0|1,0,0]=4 2183 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,1,1,0,0,0|0,0,0]=3 2184 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,1,1,0,0,0|0,0,0]=3 2185 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,1,1,0,0,0|1,0,0]=4 2186 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,1,1,0,0,0|1,0,0]=4 2187 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,1,1,0,0,0|1,0,0]=4 2188 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,1,1,0,0,0|1,0,0]=4 2189 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,1,0,0,0|1,0,0]=4 2190 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,1,0,0,0|1,0,0]=4 2191 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,1,0,0,0|1,0,0]=4 2192 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,1,0,0,0|1,0,0]=4 2193 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,1,0,0,0|0,0,1]=4 2194 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,1,0,0,0|1,0,0]=4 2195 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,1,0,0,0|1,0,0]=4 2196 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,1,0,0,0|1,0,0]=4 2197 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,1,0,0,0|1,0,0]=4 2198 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,1,1,0,0,0|1,0,0]=4 2199 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,1,0,0,0|1,0,0]=4 2200 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [1,1,1,0,0,0|1,0,0]=4 2201 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [1,1,1,0,0,0|1,0,0]=4 2202 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [1,1,1,0,0,0|0,1,0]=4 2203 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [1,1,1,0,0,0|1,0,0]=4 2204 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [1,1,1,0,0,0|0,0,1]=4 2205 B9R0.6 C=CCN(C)C(C)C(=O)C 2230a_100000225617_100009814033 [1,1,1,0,0,0|1,0,0]=4 2206 B9R0.6 C=CCN(C)C(C)C(=O)C 269982a_100000225617_100009814033 [1,1,1,0,0,0|1,0,0]=4 2207 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [1,1,1,0,0,0|0,0,1]=4 2208 B9R0.42 C=CC(C)SC(C)C(=O)C 62a_100011215867_100009814033 [1,1,1,0,0,0|1,0,0]=4 2209 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,1,0,0,0|1,0,0]=4 2210 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,1,0,0,0|1,0,0]=4 2211 B9R0.51 C=CCOC(C)(C)C(=O)C 1458a_200116317110_200000210301 [1,1,1,0,0,0|1,0,0]=4 2212 B9R0.51 C=CCOC(C)(C)C(=O)C 34a_100000747739_100015514636 [1,1,1,0,0,0|1,0,0]=4 2213 B9R0.51 C=CCOC(C)(C)C(=O)C 7a_100000747739_100015514636 [1,1,1,0,0,0|1,0,0]=4 2214 B9R0.51 C=CCOC(C)(C)C(=O)[13CH3] 1458a_200116317110_200025704644 [1,1,1,0,0,0|1,0,0]=4 2215 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000075568_100000210623 [1,1,1,0,0,0|1,0,0]=4 2216 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000210623_100000075568 [1,1,1,0,0,0|1,0,0]=4 2217 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,1,0,0,0|0,0,1]=4 2218 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,1,0,0,0|0,0,1]=4 2219 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,1,0,0,0|0,0,1]=4 2220 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,1,0,0,0|0,0,1]=4 2221 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,1,0,0,0|0,0,1]=4 2222 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,1,0,0,0|0,0,1]=4 2223 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,1,0,0,0|0,0,1]=4 2224 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,1,0,0,0|0,0,1]=4 2225 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,1,0,0,0|0,0,1]=4 2226 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,1,0,0,0|0,0,1]=4 2227 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,1,0,0,0|0,0,1]=4 2228 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,1,0,0,0|0,0,1]=4 2229 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,1,1,0,0,0|0,0,1]=4 2230 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,1,1,0,0,0|0,0,1]=4 2231 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,1,1,0,0,0|0,0,1]=4 2232 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [1,1,1,0,0,0|1,0,0]=4 2233 B9R0.33 C=CCN(C(=O)C)C(C)C 11a_100000742772_100015343762 [1,1,1,0,0,0|1,0,0]=4 2234 B9R0.33 C=CCN(C(=O)C)C(C)C 1626a_100000742772_100015343762 [1,1,1,0,0,0|1,0,0]=4 2235 B9R0.33 C=CCN(C(=O)C)C(C)C 240690a_100000742772_100015343762 [1,1,1,0,0,0|1,0,0]=4 2236 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [1,1,1,0,0,0|1,0,0]=4 2237 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [1,1,1,0,0,0|1,0,0]=4 2238 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [1,1,1,0,0,0|1,0,0]=4 2239 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [1,1,1,0,0,0|1,0,0]=4 2240 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [1,1,1,0,0,0|1,0,0]=4 2241 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,1,0,0,0|0,0,1]=4 2242 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,1,0,0,0|0,0,1]=4 2243 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,1,0,0,0|0,0,1]=4 2244 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,1,0,1,0|0,0,1]=4 2245 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,1,0,1,0|0,0,1]=4 2246 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,1,0,1,0|0,0,1]=4 2247 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,1,0,1,0|0,0,1]=4 2248 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,1,0,1,0|0,0,1]=4 2249 B9R0.79 CC(=O)C(C)C(=O)N(C)C 1458a_100000070787_100000209910 [0,1,1,0,1,0|1,0,0]=4 2250 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [2,1,0,0,0,0|0,0,1]=4 2251 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [2,1,0,0,0,0|0,0,1]=4 2252 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [2,1,0,0,0,0|0,0,1]=4 2253 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [2,1,0,0,0,0|1,0,0]=4 2254 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [2,1,0,0,0,0|1,0,0]=4 2255 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [2,1,0,0,0,0|1,0,0]=4 2256 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [2,1,0,0,0,0|1,0,0]=4 2257 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [2,1,0,0,0,0|0,0,1]=4 2258 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,1,0,0,1,0|0,0,0]=3 2259 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,1,0,0,1,0|0,0,1]=4 2260 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,1,0,0,1,0|0,0,1]=4 2261 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,1,0,0,1,0|1,0,0]=4 2262 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,1,0,0,1,0|1,0,0]=4 2263 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [1,1,0,0,1,0|1,0,0]=4 2264 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [1,1,0,0,1,0|1,0,0]=4 2265 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [1,1,0,0,1,0|0,0,0]=3 2266 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [1,1,0,0,1,0|0,0,0]=3 2267 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [1,1,0,0,1,0|0,0,0]=3 2268 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [1,1,0,0,1,0|0,0,0]=3 2269 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,1,0,0,1,0|0,0,1]=4 2270 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,1,0,0,1,0|0,0,1]=4 2271 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,1,0,0,1,0|0,0,1]=4 2272 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,1,0,0,1,0|0,0,1]=4 2273 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [1,1,0,0,1,0|1,0,0]=4 2274 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [1,1,0,0,1,0|1,0,0]=4 2275 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [1,1,0,0,1,0|1,0,0]=4 2276 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [1,1,0,0,1,0|1,0,0]=4 2277 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [1,1,0,0,1,0|1,0,0]=4 2278 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [1,1,0,0,1,0|1,0,0]=4 2279 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [1,1,0,0,1,0|0,0,0]=3 2280 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,1,0,0,1,0|0,0,1]=4 2281 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [1,1,0,0,1,0|1,0,0]=4 2282 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,1,0,0,1,0|0,0,1]=4 2283 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,1,0,0,1,0|1,0,0]=4 2284 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [1,1,0,0,1,0|1,0,0]=4 2285 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,1,0,0,1,0|0,0,1]=4 2286 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,1,0,0,1,0|0,0,1]=4 2287 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,1,0,0,1,0|1,0,0]=4 2288 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,1,0,0,1,0|0,0,1]=4 2289 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,1,0,0,1,0|0,0,1]=4 2290 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,1,0,0,1,0|0,0,1]=4 2291 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,1,0,0,1,0|0,0,1]=4 2292 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,1,0,0,1,0|0,0,1]=4 2293 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,0,2,0|0,0,1]=4 2294 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,1,0,0,2,0|0,0,1]=4 2295 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,0,2,0|0,0,1]=4 2296 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,0,2,0|0,0,1]=4 2297 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,0,2,0|0,0,1]=4 2298 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,0,2,0|0,0,1]=4 2299 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,0,2,0|0,0,1]=4 2300 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,0,2,0|0,0,1]=4 2301 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,0,2,0|1,0,0]=4 2302 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,1,0,0,2,0|1,0,0]=4 2303 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,0,2,0|0,0,1]=4 2304 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,0,2,0|0,0,1]=4 2305 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,0,2,0|0,0,1]=4 2306 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,0,2,0|0,0,1]=4 2307 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,0,2,0|1,0,0]=4 2308 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,0,2,0|1,0,0]=4 2309 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,0,2,0|1,0,0]=4 2310 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,0,2,0|1,0,0]=4 2311 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,0,2,0|1,0,0]=4 2312 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,0,2,0|0,0,1]=4 2313 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,0,2,0|0,0,1]=4 2314 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,0,2,0|0,0,1]=4 2315 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,0,2,0|0,0,1]=4 2316 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,0,2,0|0,0,1]=4 2317 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,0,2,0|0,0,1]=4 2318 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,0,2,0|0,0,1]=4 2319 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,0,2,0|0,0,1]=4 2320 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,0,2,0|1,0,0]=4 2321 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,0,2,0|1,0,0]=4 2322 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,0,2,0|1,0,0]=4 2323 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,0,2,0|1,0,0]=4 2324 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,0,2,0|1,0,0]=4 2325 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,0,2,0|1,0,0]=4 2326 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,1,1,0,0,1|1,0,0]=4 2327 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,1,1,0,0,1|1,0,0]=4 2328 B11R0.29 C=C(C)C(=O)CCCSC(=O)C 1458a_100000185857_100000038929 [0,1,1,0,0,1|1,0,0]=4 2329 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,1,1,0,0,1|0,0,1]=4 2330 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,1,1,0,0,1|0,0,1]=4 2331 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,1,1,0,0,1|0,0,1]=4 2332 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,1,1,0,0,1|0,0,1]=4 2333 B11R0.29 CC(=O)CCOCC(=O)C(=O)C 34a_100000759926_100011261029 [0,1,1,0,0,1|1,0,0]=4 2334 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,1,1,0,0,1|0,0,1]=4 2335 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100000053229_100011261029 [0,1,1,0,0,1|1,0,0]=4 2336 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000053229 [0,1,1,0,0,1|1,0,0]=4 2337 B11R0.93 C=C(C)CCC(=O)C=C(C)CC 1458a_100020758463_100000730704 [0,1,1,0,0,1|1,0,0]=4 2338 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)C 1458a_100020587367_100011215641 [0,1,1,0,0,1|0,0,0]=3 2339 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)N 1458a_100020587367_100102525003 [0,1,1,0,0,1|1,0,0]=4 2340 B11R0.145 C/C=C(\C)/C(=O)CCNC(=O)C 1458a_100020587367_100000189650 [0,1,1,0,0,1|0,0,1]=4 2341 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)C 1458a_100020587367_100009814007 [0,1,1,0,0,1|0,0,1]=4 2342 B11R0.145 C/C=C(\C)/C(C)NCCC(=O)N 269862a_100000740010_100020675665 [0,1,1,0,0,1|1,0,0]=4 2343 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,1,1,0,0,1|0,0,1]=4 2344 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,1,1,0,0,1|0,0,1]=4 2345 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,1,1,0,0,1|0,0,1]=4 2346 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,1,1,0,0,1|0,0,1]=4 2347 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,1,1,0,0,1|0,0,1]=4 2348 B11R0.145 CCN(C)C(=O)CCNC(=O)C 11a_100000225621_100000183196 [0,1,1,0,0,1|1,0,0]=4 2349 B11R0.145 CCN(C)C(=O)CCNC(=O)C 1626a_100000225621_100000183196 [0,1,1,0,0,1|1,0,0]=4 2350 B11R0.145 CCN(C)C(=O)CCNC(=O)C 240690a_100000225621_100000183196 [0,1,1,0,0,1|1,0,0]=4 2351 B11R0.145 CCN(C)C(=O)CCNC(=O)C 527a_100000225621_100000183196 [0,1,1,0,0,1|1,0,0]=4 2352 B11R0.145 CCN(C)C(=O)CCSC(=O)C 1626a_100000225621_100000048949 [0,1,1,0,0,1|1,0,0]=4 2353 B11R0.145 CCN(C)C(=O)CCSC(=O)C 240690a_100000225621_100000048949 [0,1,1,0,0,1|1,0,0]=4 2354 B11R0.145 CCN(C)C(=O)COCC(=O)C 34a_100000211253_100000738999 [0,1,1,0,0,1|1,0,0]=4 2355 B11R0.176 C/C=C/C(C)OCCCC(=O)C 34a_200102604097_100000685027 [0,1,1,0,0,1|0,0,1]=4 2356 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,1,1,0,0,1|1,0,0]=4 2357 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,1,1,0,0,1|1,0,0]=4 2358 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,1,1,0,0,1|1,0,0]=4 2359 B11R0.149 C=C(C)CC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000748629 [0,1,1,0,0,1|0,0,1]=4 2360 B11R0.149 C=C(C)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000748629 [0,1,1,0,0,1|0,0,1]=4 2361 B11R0.149 C=C(C)CN(C)C(C)OC(=O)C 269982a_100000225649_100009818208 [0,1,1,0,0,1|1,0,0]=4 2362 B11R0.149 CC(=O)OC(C)C(=O)C=C(C)C 1458a_100000211388_100009818208 [0,1,1,0,0,1|0,0,1]=4 2363 B11R0.232 C=C(C)COC(C)(C)CC(=O)C 7a_100000210262_100000748629 [0,1,1,0,0,1|1,0,0]=4 2364 B11R0.77 C/C=C/CN[C@H](CC)CC(=O)O 269956a_100016995926_100102629194 [0,1,1,0,0,1|1,0,0]=4 2365 B11R0.6 C=C(C)CN(C)CCCC(=O)C 269982a_100000225649_100011215641 [0,2,1,0,0,0|1,0,0]=4 2366 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,2,1,0,0,0|1,0,0]=4 2367 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,2,1,0,0,0|1,0,0]=4 2368 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,2,1,0,0,0|1,0,0]=4 2369 B11R0.59 C=C(C)CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000730704 [0,2,1,0,0,0|1,0,0]=4 2370 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,2,1,0,0,0|1,0,0]=4 2371 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,1,0,0,0|1,0,0]=4 2372 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,2,1,0,0,0|1,0,0]=4 2373 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,2,1,0,0,0|1,0,0]=4 2374 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,2,1,0,0,0|1,0,0]=4 2375 B11R0.92 CCC(=CC(=O)C(C)C(=O)C)C 1458a_100020758463_100000179758 [0,2,1,0,0,0|0,0,1]=4 2376 B11R0.110 CCC(=CC(=O)CC(=O)NC)C 1458a_100020758463_100000183359 [0,2,1,0,0,0|0,0,1]=4 2377 B11R0.110 CCC(=CC(=O)CC(=O)OC)C 1458a_100020758463_100000747449 [0,2,1,0,0,0|0,0,1]=4 2378 B11R0.110 CCC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000747405 [0,2,1,0,0,0|0,0,1]=4 2379 B11R0.120 C/C=C(\C)/C(C)NCC(=O)NC 269862a_100000693194_100020675665 [0,2,1,0,0,0|1,0,0]=4 2380 B11R0.120 CCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000758301 [0,2,1,0,0,0|0,0,1]=4 2381 B11R0.120 CCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000758301 [0,2,1,0,0,0|0,0,1]=4 2382 B11R0.120 CCN(C)C(=O)CCC(=O)NC 11a_100000225621_100011309844 [0,2,1,0,0,0|1,0,0]=4 2383 B11R0.120 CCN(C)C(=O)CCC(=O)NC 1626a_100000225621_100011309844 [0,2,1,0,0,0|1,0,0]=4 2384 B11R0.120 CCN(C)C(=O)CCC(=O)NC 240690a_100000225621_100011309844 [0,2,1,0,0,0|1,0,0]=4 2385 B11R0.120 CCN(C)C(=O)CCC(=O)NC 527a_100000225621_100011309844 [0,2,1,0,0,0|1,0,0]=4 2386 B11R0.120 CCN(C)C(=O)CCC(=O)OC 11a_100000225621_100000187943 [0,2,1,0,0,0|1,0,0]=4 2387 B11R0.120 CCN(C)C(=O)CCC(=O)OC 1626a_100000225621_100000187943 [0,2,1,0,0,0|1,0,0]=4 2388 B11R0.120 CCN(C)C(=O)CCC(=O)OC 240690a_100000225621_100000187943 [0,2,1,0,0,0|1,0,0]=4 2389 B11R0.120 CCN(C)C(=O)CCC(=O)OC 527a_100000225621_100000187943 [0,2,1,0,0,0|1,0,0]=4 2390 B11R0.171 CCN(CC)C(=O)CCC(=O)C 1458a_100000070787_100011194432 [0,2,1,0,0,0|1,0,0]=4 2391 B11R0.52 C=C(C)CN(C)C(C)(C)C(=O)C 269982a_100000225649_100000075568 [0,2,1,0,0,0|1,0,0]=4 2392 B11R0.144 C=C(C)CN(CC)C(C)C(=O)C 2230a_100000211296_100009814033 [0,2,1,0,0,0|1,0,0]=4 2393 B11R0.144 C=C(C)CN(CC)C(C)C(=O)C 269982a_100000211296_100009814033 [0,2,1,0,0,0|1,0,0]=4 2394 B11R0.28 C=C(C)CSC(C(=O)C)C(=O)C 62a_100000210371_100000211660 [0,2,1,0,0,0|1,0,0]=4 2395 B11R0.28 C=C(C)CSC(C(=O)C)C(=O)C 62a_100000748629_100000210371 [0,2,1,0,0,0|1,0,0]=4 2396 B11R0.146 CC(=CCC(NCF)C(=O)O)C 269956a_100102631519_100015361967 [0,2,1,0,0,0|1,0,0]=4 2397 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,2,1,0,0,0|1,0,0]=4 2398 B11R0.153 C/C=C/CNC(C(=O)O)C(C)O 269956a_100000185852_100102629194 [0,2,1,0,0,0|1,0,0]=4 2399 B11R0.153 C/C=C/CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100102629194 [0,2,1,0,0,0|1,0,0]=4 2400 B11R0.153 C/C=C/COC(C(=O)N)C(C)C 34a_100016270725_100000230017 [0,2,1,0,0,0|1,0,0]=4 2401 B11R0.153 C/C=C/CSC(C(=O)C)C(=O)C 62a_100000210371_100102629194 [0,2,1,0,0,0|0,0,1]=4 2402 B11R0.153 C/C=C/CSC(C(=O)C)C(=O)C 62a_100102629194_100000210371 [0,2,1,0,0,0|0,0,1]=4 2403 B11R0.153 C/C=C/CSC(C(=O)N)C(C)C 62a_100000230017_100102629194 [0,2,1,0,0,0|1,0,0]=4 2404 B11R0.153 C/C=C/CSC(C(=O)N)C(C)C 62a_100102629194_100000230017 [0,2,1,0,0,0|1,0,0]=4 2405 B11R0.153 CC=CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000070051 [0,2,1,0,0,0|1,0,0]=4 2406 B11R0.153 CC=CCSC(C(=O)C)C(=O)C 62a_100000070051_100000210371 [0,2,1,0,0,0|0,0,1]=4 2407 B11R0.153 CC=CCSC(C(=O)C)C(=O)C 62a_100000210371_100000070051 [0,2,1,0,0,0|0,0,1]=4 2408 B11R0.153 CC=CCSC(C(=O)N)C(C)C 62a_100000070051_100000230017 [0,2,1,0,0,0|1,0,0]=4 2409 B11R0.153 CC=CCSC(C(=O)N)C(C)C 62a_100000230017_100000070051 [0,2,1,0,0,0|1,0,0]=4 2410 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 11a_100020603311_100015343762 [0,2,1,0,0,0|1,0,0]=4 2411 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 1626a_100020603311_100015343762 [0,2,1,0,0,0|1,0,0]=4 2412 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 240690a_100020603311_100015343762 [0,2,1,0,0,0|1,0,0]=4 2413 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 527a_100020603311_100103153847 [0,2,1,0,0,0|1,0,0]=4 2414 B11R0.55 C/C=C/C(C)OC(CC)C(=O)N 34a_200102604097_100000750255 [0,2,1,0,0,0|1,0,0]=4 2415 B11R0.53 CC=CC(=O)C(CC)C(=O)OC 1458a_100000210699_100000235869 [0,2,1,0,0,0|0,0,1]=4 2416 B11R0.75 C/C=C/CN[C@@H](CC)C(=O)NC 34a_106657271573_100102629194 [0,2,1,0,0,0|0,0,0]=3 2417 B11R0.75 C/C=C/COC(CC)C(=O)CC 34a_200011218131_100102629194 [0,2,1,0,0,0|0,0,0]=3 2418 B11R0.75 C/C=C/COC(CC)C(=O)CC 7a_200011218131_100102629194 [0,2,1,0,0,0|0,0,0]=3 2419 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100000695916_100102629194 [0,2,1,0,0,0|0,0,0]=3 2420 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100016270725_100000235869 [0,2,1,0,0,0|0,0,0]=3 2421 B11R0.75 C/C=C/COC(CC)C(=O)OC 7a_100000695916_100102629194 [0,2,1,0,0,0|0,0,0]=3 2422 B11R0.75 C/C=C/COC(CN)C(=O)OC 34a_100000695228_100102629194 [0,2,1,0,0,0|1,0,0]=4 2423 B11R0.75 C/C=C/COC(CO)C(=O)OC 34a_100016270725_100012276630 [0,2,1,0,0,0|1,0,0]=4 2424 B11R0.75 C/C=C/COC(OC)C(=O)OC 34a_100000036821_100102629194 [0,2,1,0,0,0|1,0,0]=4 2425 B11R0.75 C/C=C/COC(OC)C(=O)OC 34a_100016270725_100000101307 [0,2,1,0,0,0|1,0,0]=4 2426 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100000235869_100102629194 [0,2,1,0,0,0|0,0,0]=3 2427 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100102629194_100000235869 [0,2,1,0,0,0|0,0,0]=3 2428 B11R0.75 C/C=C/CSC(CO)C(=O)OC 62a_100012276630_100102629194 [0,2,1,0,0,0|1,0,0]=4 2429 B11R0.75 C/C=C/CSC(CO)C(=O)OC 62a_100102629194_100012276630 [0,2,1,0,0,0|1,0,0]=4 2430 B11R0.75 C/C=C/CSC(OC)C(=O)OC 62a_100000101307_100102629194 [0,2,1,0,0,0|1,0,0]=4 2431 B11R0.75 C/C=C/CSC(OC)C(=O)OC 62a_100102629194_100000101307 [0,2,1,0,0,0|1,0,0]=4 2432 B11R0.75 CC=CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000070051 [0,2,1,0,0,0|0,0,0]=3 2433 B11R0.75 CC=CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000070051 [0,2,1,0,0,0|0,0,0]=3 2434 B11R0.75 CC=CCOC(CC)C(=O)CC 34a_200011218131_100000070051 [0,2,1,0,0,0|0,0,0]=3 2435 B11R0.75 CC=CCOC(CC)C(=O)CC 7a_200011218131_100000070051 [0,2,1,0,0,0|0,0,0]=3 2436 B11R0.75 CC=CCOC(CC)C(=O)OC 34a_100000695916_100000070051 [0,2,1,0,0,0|0,0,0]=3 2437 B11R0.75 CC=CCOC(CC)C(=O)OC 7a_100000695916_100000070051 [0,2,1,0,0,0|0,0,0]=3 2438 B11R0.75 CC=CCOC(CN)C(=O)OC 34a_100000695228_100000070051 [0,2,1,0,0,0|1,0,0]=4 2439 B11R0.75 CC=CCOC(OC)C(=O)OC 34a_100000036821_100000070051 [0,2,1,0,0,0|1,0,0]=4 2440 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000070051_100000235869 [0,2,1,0,0,0|0,0,0]=3 2441 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000235869_100000070051 [0,2,1,0,0,0|0,0,0]=3 2442 B11R0.75 CC=CCSC(CO)C(=O)OC 62a_100000070051_100012276630 [0,2,1,0,0,0|1,0,0]=4 2443 B11R0.75 CC=CCSC(CO)C(=O)OC 62a_100012276630_100000070051 [0,2,1,0,0,0|1,0,0]=4 2444 B11R0.75 CC=CCSC(OC)C(=O)OC 62a_100000070051_100000101307 [0,2,1,0,0,0|1,0,0]=4 2445 B11R0.75 CC=CCSC(OC)C(=O)OC 62a_100000101307_100000070051 [0,2,1,0,0,0|1,0,0]=4 2446 B11R0.76 C/C=C/CCOC(CC)C(=O)N 34a_100016278192_100000750255 [0,2,1,0,0,0|1,0,0]=4 2447 B11R0.76 CC/C=C\CNC(CC)C(=O)N 2230a_100000733705_100103147603 [0,2,1,0,0,0|1,0,0]=4 2448 B11R0.76 CC/C=C\CNC(CC)C(=O)N 34a_100000733705_100103147603 [0,2,1,0,0,0|1,0,0]=4 2449 B11R0.76 CC/C=C\CN[C@H](CC)C(=O)O 269956a_100000747097_100103147603 [0,2,1,0,0,0|1,0,0]=4 2450 B11R0.76 CC/C=C\COC(CC)C(=O)N 34a_100016268518_100000750255 [0,2,1,0,0,0|1,0,0]=4 2451 B11R0.76 CC/C=C\CSC(CC)C(=O)N 62a_100000750255_100103147603 [0,2,1,0,0,0|1,0,0]=4 2452 B11R0.76 CC/C=C\CSC(CC)C(=O)N 62a_100103147603_100000750255 [0,2,1,0,0,0|1,0,0]=4 2453 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)N 34a_100000729256_100102629194 [0,2,1,0,0,0|1,0,0]=4 2454 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,2,1,0,0,0|1,0,0]=4 2455 B11R0.78 C/C=C/CN[C@@H](CSC)C(=O)O 269956a_100011421858_100102629194 [0,2,1,0,0,0|1,0,0]=4 2456 B11R0.78 C/C=C/CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100102629194 [0,2,1,0,0,0|1,0,0]=4 2457 B11R0.78 C/C=C/CN[C@H](COC)C(=O)O 269956a_100011998655_100102629194 [0,2,1,0,0,0|1,0,0]=4 2458 B11R0.78 C/C=C/COC(CCC)C(=O)N 34a_100011626294_100102629194 [0,2,1,0,0,0|1,0,0]=4 2459 B11R0.78 C/C=C/COC(CCC)C(=O)N 7a_100011626294_100102629194 [0,2,1,0,0,0|1,0,0]=4 2460 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000070051 [0,2,1,0,0,0|1,0,0]=4 2461 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000070051 [0,2,1,0,0,0|1,0,0]=4 2462 B11R0.78 CC=CCOC(CCC)C(=O)N 34a_100011626294_100000070051 [0,2,1,0,0,0|1,0,0]=4 2463 B11R0.78 CC=CCOC(CCC)C(=O)N 7a_100011626294_100000070051 [0,2,1,0,0,0|1,0,0]=4 2464 B11R0.238 C/C=C/CN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100102629194 [0,2,1,0,0,0|1,0,0]=4 2465 B11R0.238 CC=CCC(=O)C(CC)C(=O)N 1458a_100121576822_100000750255 [0,2,1,0,0,0|1,0,0]=4 2466 B11R0.238 CC=CCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000070051 [0,2,1,0,0,0|1,0,0]=4 2467 B11R0.329 C/C=C/CNC(C)(CC)C(=O)O 269956a_100025756313_100102629194 [0,2,1,0,0,0|1,0,0]=4 2468 B11R1.36 CC(=O)C(C)N1CC=CCC1 2230a_100000698166_100009814033 [1,1,0,0,0,1|1,0,0]=4 2469 B11R1.36 CC(=O)C(C)N1CC=CCC1 269982a_100000698166_100009814033 [1,1,0,0,0,1|1,0,0]=4 2470 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [1,1,0,0,0,1|1,0,0]=4 2471 B11R1.40 CNC(=O)CN1CC=CCC1 2230a_100000698166_100000183359 [1,1,0,0,0,1|1,0,0]=4 2472 B11R1.40 CNC(=O)CN1CC=CCC1 269982a_100000698166_100000183359 [1,1,0,0,0,1|1,0,0]=4 2473 B11R1.40 CNC(=O)CN1CC=CCC1 34a_100000698166_100000183359 [1,1,0,0,0,1|1,0,0]=4 2474 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [1,1,0,0,0,1|1,0,0]=4 2475 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [1,1,0,0,0,1|1,0,0]=4 2476 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [1,1,0,0,0,1|1,0,0]=4 2477 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [1,1,0,0,0,1|1,0,0]=4 2478 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [1,1,0,0,0,1|1,0,0]=4 2479 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [1,1,0,0,0,1|1,0,0]=4 2480 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [1,1,0,0,0,1|1,0,0]=4 2481 B11R1.1 C/C=C/CN1CC=C(CC1)C 269982a_100000693516_100102629194 [1,2,0,0,0,0|1,0,0]=4 2482 B11R1.1 C/C=C/CN1CC=C(CC1)C 34a_100000693516_100102629194 [1,2,0,0,0,0|1,0,0]=4 2483 B11R1.1 CC=CCN1CC=C(CC1)C 2230a_100000693516_100000070051 [1,2,0,0,0,0|1,0,0]=4 2484 B11R1.1 CC=CCN1CC=C(CC1)C 34a_100000693516_100000070051 [1,2,0,0,0,0|1,0,0]=4 2485 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [1,2,0,0,0,0|0,0,1]=4 2486 B11R1.16 C#CCC(=O)N1CC=CCC1 1626a_100000698166_100011220946 [1,2,0,0,0,0|1,0,0]=4 2487 B11R1.16 C#CCC(=O)N1CC=CCC1 527a_100000698166_100011220946 [1,2,0,0,0,0|1,0,0]=4 2488 B11R1.16 C#CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000184674 [1,2,0,0,0,0|0,0,0]=3 2489 B11R1.16 C=CCC(=O)N1CC=CCC1 11a_100000698166_100000210193 [1,2,0,0,0,0|1,0,0]=4 2490 B11R1.16 C=CCC(=O)N1CC=CCC1 1626a_100000698166_100000210193 [1,2,0,0,0,0|1,0,0]=4 2491 B11R1.16 C=CCC(=O)N1CC=CCC1 240690a_100000698166_100000210193 [1,2,0,0,0,0|1,0,0]=4 2492 B11R1.16 C=CCC(=O)N1CC=CCC1 527a_100000698166_100000210193 [1,2,0,0,0,0|1,0,0]=4 2493 B11R1.16 C=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210623 [1,2,0,0,0,0|0,0,0]=3 2494 B11R1.16 CC=CC(=O)N1CC=CCC1 11a_100000698166_100000210699 [1,2,0,0,0,0|1,0,0]=4 2495 B11R1.16 CC=CC(=O)N1CC=CCC1 1626a_100000698166_100000210699 [1,2,0,0,0,0|1,0,0]=4 2496 B11R1.16 CC=CC(=O)N1CC=CCC1 240690a_100000698166_100000210699 [1,2,0,0,0,0|1,0,0]=4 2497 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [1,2,0,0,0,0|1,0,0]=4 2498 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [1,2,0,0,0,0|1,0,0]=4 2499 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [1,2,0,0,0,0|1,0,0]=4 2500 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [1,2,0,0,0,0|1,0,0]=4 2501 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [1,2,0,0,0,0|0,0,0]=3 2502 B11R1.16 CCNC(=O)N1CC=CCC1 2708a_100015525214_100000698166 [1,2,0,0,0,0|1,0,0]=4 2503 B11R1.16 CCNC(=O)N1CC=CCC1 273464a_100015525214_100000698166 [1,2,0,0,0,0|1,0,0]=4 2504 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [1,2,0,0,0,0|0,0,0]=3 2505 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [1,2,0,0,0,0|0,0,0]=3 2506 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [1,2,0,0,0,0|0,0,0]=3 2507 B11R1.16 CNNC(=O)[C@H]1CC=CCC1 22a_100016993582_100009820709 [1,2,0,0,0,0|0,0,0]=3 2508 B11R1.16 COCC(=O)N1CC=CCC1 11a_100000698166_100000210968 [1,2,0,0,0,0|1,0,0]=4 2509 B11R1.16 COCC(=O)N1CC=CCC1 1626a_100000698166_100000210968 [1,2,0,0,0,0|1,0,0]=4 2510 B11R1.16 COCC(=O)N1CC=CCC1 240690a_100000698166_100000210968 [1,2,0,0,0,0|1,0,0]=4 2511 B11R1.16 COCC(=O)N1CC=CCC1 527a_100000698166_100000210968 [1,2,0,0,0,0|1,0,0]=4 2512 B11R1.16 CSCC(=O)N1CC=CCC1 11a_100000698166_100000184570 [1,2,0,0,0,0|1,0,0]=4 2513 B11R1.16 CSCC(=O)N1CC=CCC1 1626a_100000698166_100000184570 [1,2,0,0,0,0|1,0,0]=4 2514 B11R1.16 CSCC(=O)N1CC=CCC1 240690a_100000698166_100000184570 [1,2,0,0,0,0|1,0,0]=4 2515 B11R1.16 CSCC(=O)N1CC=CCC1 527a_100000698166_100000184570 [1,2,0,0,0,0|1,0,0]=4 2516 B11R1.16 N#CCC(=O)N1CC=CCC1 1626a_100000698166_100051588842 [1,2,0,0,0,0|1,0,0]=4 2517 B11R1.16 N#CCC(=O)N1CC=CCC1 240690a_100000698166_100051588842 [1,2,0,0,0,0|1,0,0]=4 2518 B11R1.16 N#CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011214920 [1,2,0,0,0,0|0,0,0]=3 2519 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [1,2,0,0,0,0|0,0,0]=3 2520 B11R1.16 O=C(CCO)N1CC=CCC1 240690a_100000698166_100011216618 [1,2,0,0,0,0|1,0,0]=4 2521 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [1,2,0,0,0,0|0,0,0]=3 2522 B11R1.23 CC1=CCCN(C1)C(=O)CO 240690a_100000725631_100000210174 [1,2,0,0,0,0|1,0,0]=4 2523 B11R1.23 CC1=CCCN(C1)C(=O)CO 527a_100000725631_100000210174 [1,2,0,0,0,0|1,0,0]=4 2524 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [1,2,0,0,0,0|1,0,0]=4 2525 B11R1.23 CCC(=O)N1CCC=C(C1)C 11a_100000725631_100000210414 [1,2,0,0,0,0|1,0,0]=4 2526 B11R1.23 CCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000210414 [1,2,0,0,0,0|1,0,0]=4 2527 B11R1.23 CCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000210414 [1,2,0,0,0,0|1,0,0]=4 2528 B11R1.23 CCC(=O)N1CCC=C(C1)C 527a_100000725631_100000210414 [1,2,0,0,0,0|1,0,0]=4 2529 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [1,2,0,0,0,0|1,0,0]=4 2530 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [1,2,0,0,0,0|1,0,0]=4 2531 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [1,2,0,0,0,0|1,0,0]=4 2532 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [1,2,0,0,0,0|1,0,0]=4 2533 B11R1.23 CNC(=O)N1CCC=C(C1)C 2708a_100102657272_100000725631 [1,2,0,0,0,0|1,0,0]=4 2534 B11R1.23 CNC(=O)N1CCC=C(C1)C 273464a_100102657272_100000725631 [1,2,0,0,0,0|1,0,0]=4 2535 B11R1.23 O=C1CC(CCN1)C(=O)CF 1458a_100000132800_100015361967 [1,2,0,0,0,0|1,0,0]=4 2536 B11R1.53 CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200000210301 [1,2,0,0,0,0|1,0,0]=4 2537 B11R1.53 [13CH3]N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200025704644 [1,2,0,0,0,0|1,0,0]=4 2538 B11R1.15 C#CCC(=O)C1CCN(C1)C 1458a_100000739633_100000184674 [0,2,0,0,1,0|1,0,0]=4 2539 B11R1.15 C=CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210623 [0,2,0,0,1,0|1,0,0]=4 2540 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,2,0,0,1,0|1,0,0]=4 2541 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,2,0,0,1,0|1,0,0]=4 2542 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,2,0,0,1,0|1,0,0]=4 2543 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,2,0,0,1,0|1,0,0]=4 2544 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,2,0,0,1,0|1,0,0]=4 2545 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,2,0,0,1,0|1,0,0]=4 2546 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,2,0,0,1,0|1,0,0]=4 2547 B11R1.15 CN1CCC(C1)C(=O)CC#N 1458a_100000739633_100011214920 [0,2,0,0,1,0|1,0,0]=4 2548 B11R1.15 CN1CCC(C1)C(=O)CCF 1458a_100000739633_100011217306 [0,2,0,0,1,0|1,0,0]=4 2549 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,2,0,0,1,0|1,0,0]=4 2550 B11R1.15 CNNC(=O)C1CCN(C1)C 22a_100016993582_100000739633 [0,2,0,0,1,0|1,0,0]=4 2551 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [0,2,0,0,1,0|1,0,0]=4 2552 B11R1.44 CCN1CCC(C1)C(=O)CF 1458a_100103286618_100015361967 [0,2,0,0,1,0|1,0,0]=4 2553 B11R1.44 CCN1CCC(C1)C(=O)NC 11a_106832991635_100103286618 [0,2,0,0,1,0|1,0,0]=4 2554 B11R1.44 CCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210202 [0,2,0,0,1,0|1,0,0]=4 2555 B11R1.44 CCN1CCC(C1)C(=O)NC 240690a_100102657272_100103286618 [0,2,0,0,1,0|1,0,0]=4 2556 B11R1.44 CCN1CCC(C1)C(=O)NC 269982a_100020588580_100000204670 [0,2,0,0,1,0|1,0,0]=4 2557 B11R1.44 CCN1CCC(C1)C(=O)NC 34a_100020588580_100000210202 [0,2,0,0,1,0|1,0,0]=4 2558 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [0,2,0,0,1,0|1,0,0]=4 2559 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [0,2,0,0,1,0|1,0,0]=4 2560 B11R1.44 CNC(=O)C1CCN(C1)CF 269982a_100020588580_100015361967 [0,2,0,0,1,0|1,0,0]=4 2561 B11R1.44 CNC(=O)C1CCN(C1)CF 34a_100020588580_100015361967 [0,2,0,0,1,0|1,0,0]=4 2562 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,2,0,0,1,0|0,0,1]=4 2563 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,2,0,0,1,0|0,0,1]=4 2564 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,2,0,0,1,0|0,0,1]=4 2565 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,2,0,0,1,0|0,0,1]=4 2566 B11R1.44 COC(=O)[C@@H]1CCN(C1)CF 269982a_100016989057_100015361967 [0,2,0,0,1,0|1,0,0]=4 2567 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 269982a_202516457430_200000210301 [0,2,0,0,1,0|1,0,0]=4 2568 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 34a_202516457430_200000210301 [0,2,0,0,1,0|1,0,0]=4 2569 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 269982a_202516457430_200025704644 [0,2,0,0,1,0|1,0,0]=4 2570 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 34a_202516457430_200025704644 [0,2,0,0,1,0|1,0,0]=4 2571 B11R1.226 CCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100000210202 [0,2,0,0,1,0|1,0,0]=4 2572 B11R1.226 CN1CC(CC1=O)C(=O)CF 1458a_100000187535_100015361967 [0,2,0,0,1,0|1,0,0]=4 2573 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 11a_106832991635_100000187535 [0,2,0,0,1,0|1,0,0]=4 2574 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 1626a_100102657272_100000187535 [0,2,0,0,1,0|1,0,0]=4 2575 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 240690a_100102657272_100000187535 [0,2,0,0,1,0|1,0,0]=4 2576 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 527a_100102657272_100000187535 [0,2,0,0,1,0|1,0,0]=4 2577 B11R1.314 CC(C)C(=O)C1CCN(C1)C 1458a_100000739633_100000210206 [0,2,0,0,1,0|1,0,0]=4 2578 B11R1.314 CN1CCC(C1)C(=O)N(C)C 240690a_100102631434_100000739633 [0,2,0,0,1,0|1,0,0]=4 2579 B11R1.314 CN1CCC(C1)C(=O)N(C)C 527a_100102631434_100000739633 [0,2,0,0,1,0|1,0,0]=4 2580 B11R1.865 CCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210202 [0,2,0,0,1,0|1,0,0]=4 2581 B11R1.865 CCC(=O)C1CCN(C1=O)C 1458a_100000210414_100000755940 [0,2,0,0,1,0|1,0,0]=4 2582 B11R1.865 CN1CCC(C1=O)C(=O)CF 1458a_100000137746_100015361967 [0,2,0,0,1,0|1,0,0]=4 2583 B11R1.865 CN1CCC(C1=O)C(=O)CO 1458a_100000210174_100000755940 [0,2,0,0,1,0|1,0,0]=4 2584 B11R1.865 CNC(=O)C1CCN(C1=O)C 11a_106832991635_100000137746 [0,2,0,0,1,0|1,0,0]=4 2585 B11R1.865 CNC(=O)C1CCN(C1=O)C 1626a_100102657272_100000137746 [0,2,0,0,1,0|1,0,0]=4 2586 B11R1.865 CNC(=O)C1CCN(C1=O)C 240690a_100102657272_100000137746 [0,2,0,0,1,0|1,0,0]=4 2587 B11R1.865 CNC(=O)C1CCN(C1=O)C 527a_100102657272_100000137746 [0,2,0,0,1,0|1,0,0]=4 2588 B11R1.885 CCC(=O)C1(CCN(C1)C)C 1458a_100011814562_100000210202 [0,2,0,0,1,0|1,0,0]=4 2589 B11R1.885 CN1CCC(C1)(C)C(=O)CF 1458a_100011814562_100015361967 [0,2,0,0,1,0|1,0,0]=4 2590 B11R1.885 CNC(=O)C1(CCN(C1)C)C 240690a_100102657272_100011814562 [0,2,0,0,1,0|1,0,0]=4 2591 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,2,0,0,1,0|1,0,0]=4 2592 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,2,0,0,1,0|1,0,0]=4 2593 B13R1.14 CNC(=O)CCN1CC=C(CC1)C 2230a_100000693516_100000737683 [0,1,0,0,0,2|1,0,0]=4 2594 B13R1.14 CNC(=O)CCN1CC=C(CC1)C 269982a_100000693516_100000737683 [0,1,0,0,0,2|1,0,0]=4 2595 B13R1.14 CNC(=O)CCN1CC=C(CC1)C 34a_100000693516_100012179268 [0,1,0,0,0,2|1,0,0]=4 2596 B13R1.14 COC(=O)CCN1CC=C(CC1)C 2230a_100000693516_100000204255 [0,1,0,0,0,2|1,0,0]=4 2597 B13R1.14 COC(=O)CCN1CC=C(CC1)C 269982a_100000693516_100000204255 [0,1,0,0,0,2|1,0,0]=4 2598 B13R1.14 COC(=O)CCN1CC=C(CC1)C 34a_100000693516_100000742370 [0,1,0,0,0,2|1,0,0]=4 2599 B13R1.132 C=C(C)CC(=O)C1CC=C(CC1)C 1458a_100000137427_100000748629 [0,1,0,0,0,2|1,0,0]=4 2600 B13R1.132 CC(=O)OC(C)N1CC=C(CC1)C 269982a_100000693516_100009818208 [0,1,0,0,0,2|1,0,0]=4 2601 B13R1.132 CC1=CCC(CC1)C(=O)CC(=O)N 1458a_100000137427_100000187820 [0,1,0,0,0,2|1,0,0]=4 2602 B13R1.132 CC1=CCC(CC1)C(=O)CC(=O)[O-] 1458a_100000137427_100020667443 [0,1,0,0,0,2|1,0,0]=4 2603 B13R1.133 CC(=O)C(=O)CN1CC=C(CC1)C 269982a_100000693516_100011261029 [0,1,0,0,0,2|1,0,0]=4 2604 B13R1.133 CC(=O)C(=O)CN1CC=C(CC1)C 34a_100000693516_100011261029 [0,1,0,0,0,2|1,0,0]=4 2605 B13R1.2879 CCC(=O)NC1CCN(C(=O)C1)C 11a_100000126938_100000210414 [0,2,0,0,0,1|1,0,0]=4 2606 B13R1.2879 CCC(=O)NC1CCN(C(=O)C1)C 1626a_100000126938_100000210414 [0,2,0,0,0,1|1,0,0]=4 2607 B13R1.2879 CCC(=O)NC1CCN(C(=O)C1)C 240690a_100000126938_100000210414 [0,2,0,0,0,1|1,0,0]=4 2608 B13R1.2879 CCC(=O)NC1CCN(C(=O)C1)C 527a_100000126938_100000210414 [0,2,0,0,0,1|1,0,0]=4 2609 B13R1.2879 CN1CCC(CC1=O)NC(=O)CO 240690a_100000126938_100000210174 [0,2,0,0,0,1|1,0,0]=4 2610 B13R1.2879 CN1CCC(CC1=O)NC(=O)CO 527a_100000126938_100000210174 [0,2,0,0,0,1|1,0,0]=4 2611 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 2708a_100000126938_106832991635 [0,2,0,0,0,1|1,0,0]=4 2612 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 2708a_100102657272_100000126938 [0,2,0,0,0,1|1,0,0]=4 2613 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 273464a_100000126938_100102657272 [0,2,0,0,0,1|1,0,0]=4 2614 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 273464a_100102657272_100000126938 [0,2,0,0,0,1|1,0,0]=4 2615 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 512a_100000126938_100102657272 [0,2,0,0,0,1|1,0,0]=4 2616 B13R1.2879 CNC(=O)NC1CCN(C(=O)C1)C 512a_106832991638_100000126938 [0,2,0,0,0,1|1,0,0]=4 2617 B13R1.21 CCC(=O)C(C)N1CC=C(CC1)C 2230a_100000693516_100000742827 [0,2,0,0,0,1|1,0,0]=4 2618 B13R1.21 CCC(=O)C(C)N1CC=C(CC1)C 269982a_100000693516_100000742827 [0,2,0,0,0,1|1,0,0]=4 2619 B13R1.21 CNC(=O)C(=O)N1CC=C(CC1)C 1626a_100000693516_100011218921 [0,2,0,0,0,1|1,0,0]=4 2620 B13R1.21 CNC(=O)C(=O)N1CC=C(CC1)C 240690a_100000693516_100011218921 [0,2,0,0,0,1|1,0,0]=4 2621 B13R1.21 CNC(=O)C(=O)N1CC=C(CC1)C 527a_100000693516_100011218921 [0,2,0,0,0,1|1,0,0]=4 2622 B13R1.21 CNC(=O)C(C)N1CC=C(CC1)C 2230a_100000693516_100000731044 [0,2,0,0,0,1|1,0,0]=4 2623 B13R1.21 CNC(=O)C(C)N1CC=C(CC1)C 269982a_100000693516_100000209862 [0,2,0,0,0,1|1,0,0]=4 2624 B13R1.21 CNC(=O)C(C)N1CC=C(CC1)C 34a_100000693516_100000731044 [0,2,0,0,0,1|1,0,0]=4 2625 B13R1.21 CNC(=O)C(F)N1CC=C(CC1)C 2230a_100000693516_100009813575 [0,2,0,0,0,1|1,0,0]=4 2626 B13R1.21 CNC(=O)C(F)N1CC=C(CC1)C 269982a_100000693516_100009813575 [0,2,0,0,0,1|1,0,0]=4 2627 B13R1.21 CNC(=O)C(F)N1CC=C(CC1)C 34a_100000693516_100009813575 [0,2,0,0,0,1|1,0,0]=4 2628 B13R1.21 COC(=O)C(=O)N1CC=C(CC1)C 11a_100000693516_100000024059 [0,2,0,0,0,1|1,0,0]=4 2629 B13R1.21 COC(=O)C(=O)N1CC=C(CC1)C 1626a_100000693516_100000024059 [0,2,0,0,0,1|1,0,0]=4 2630 B13R1.21 COC(=O)C(=O)N1CC=C(CC1)C 240690a_100000693516_100000024059 [0,2,0,0,0,1|1,0,0]=4 2631 B13R1.21 COC(=O)C(=O)N1CC=C(CC1)C 527a_100000693516_100000024059 [0,2,0,0,0,1|1,0,0]=4 2632 B13R1.21 COC(=O)C(C)N1CC=C(CC1)C 2230a_100000693516_100000211248 [0,2,0,0,0,1|1,0,0]=4 2633 B13R1.21 COC(=O)C(C)N1CC=C(CC1)C 269982a_100000693516_100000211248 [0,2,0,0,0,1|1,0,0]=4 2634 B13R1.21 COC(=O)C(C)N1CC=C(CC1)C 34a_100000693516_100000211248 [0,2,0,0,0,1|1,0,0]=4 2635 B13R1.522 CC(=O)C(C)(C)N1CC=C(CC1)C 269982a_100000693516_100000075568 [0,2,0,0,0,1|1,0,0]=4 2636 B13R1.19 CC1=CCN(CC1)CC(=O)NCO 2230a_100000693516_100000185155 [0,2,0,0,0,1|1,0,0]=4 2637 B13R1.19 CC1=CCN(CC1)CC(=O)NCO 269982a_100000693516_100000185155 [0,2,0,0,0,1|1,0,0]=4 2638 B13R1.19 CC1=CCN(CC1)CC(=O)NCO 34a_100000693516_100000185155 [0,2,0,0,0,1|1,0,0]=4 2639 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000747444 [0,2,0,0,0,1|1,0,0]=4 2640 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747444 [0,2,0,0,0,1|1,0,0]=4 2641 B13R1.19 CCNC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000183381 [0,2,0,0,0,1|1,0,0]=4 2642 B13R1.19 CCNC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000183381 [0,2,0,0,0,1|1,0,0]=4 2643 B13R1.19 CCNC(=O)CN1CC=C(CC1)C 34a_100000693516_100000183381 [0,2,0,0,0,1|1,0,0]=4 2644 B13R1.19 CCOC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000188475 [0,2,0,0,0,1|1,0,0]=4 2645 B13R1.19 CCOC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000188475 [0,2,0,0,0,1|1,0,0]=4 2646 B13R1.19 CCOC(=O)CN1CC=C(CC1)C 34a_100000693516_100000188475 [0,2,0,0,0,1|1,0,0]=4 2647 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)CC 1458a_200016138351_100000210202 [0,3,0,0,0,0|1,0,0]=4 2648 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)CF 1458a_200016138351_100015361967 [0,3,0,0,0,0|1,0,0]=4 2649 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 11a_106832991635_200016138351 [0,3,0,0,0,0|1,0,0]=4 2650 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 1626a_100102657272_200016138351 [0,3,0,0,0,0|1,0,0]=4 2651 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 240690a_100102657272_200016138351 [0,3,0,0,0,0|1,0,0]=4 2652 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 11a_100020587139_100015343762 [0,3,0,0,0,0|1,0,0]=4 2653 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 1626a_100020587139_100015343762 [0,3,0,0,0,0|1,0,0]=4 2654 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 240690a_100020587139_100015343762 [0,3,0,0,0,0|1,0,0]=4 2655 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 527a_100020587139_100103153847 [0,3,0,0,0,0|1,0,0]=4 2656 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)CNCC 269862a_100015525214_100015429263 [0,3,0,0,0,0|1,0,0]=4 2657 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)CNCC 270004a_100015525214_100015429263 [0,3,0,0,0,0|1,0,0]=4 2658 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCC 34a_100015330809_100000210202 [0,3,0,0,0,0|1,0,0]=4 2659 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCC 7a_100015330809_100000210202 [0,3,0,0,0,0|1,0,0]=4 2660 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCF 34a_100015330809_100015361967 [0,3,0,0,0,0|1,0,0]=4 2661 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCF 7a_100015330809_100015361967 [0,3,0,0,0,0|1,0,0]=4 2662 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 34a_100000038928_100000210202 [0,3,0,0,0,0|1,0,0]=4 2663 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 7a_100000038928_100000210202 [0,3,0,0,0,0|1,0,0]=4 2664 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 34a_100000038928_100015361967 [0,3,0,0,0,0|1,0,0]=4 2665 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 7a_100000038928_100015361967 [0,3,0,0,0,0|1,0,0]=4 2666 B13R1.466 C#CCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000184674 [0,3,0,0,0,0|1,0,0]=4 2667 B13R1.466 C=CCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000210623 [0,3,0,0,0,0|1,0,0]=4 2668 B13R1.466 CCCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000210303 [0,3,0,0,0,0|1,0,0]=4 2669 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 11a_100015525214_100000043916 [0,3,0,0,0,0|1,0,0]=4 2670 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 240690a_100015525214_100000043916 [0,3,0,0,0,0|1,0,0]=4 2671 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 527a_100015525214_100000043916 [0,3,0,0,0,0|1,0,0]=4 2672 B13R1.466 CN1CCC(CC1=O)C(=O)CC#N 1458a_100000043916_100011214920 [0,3,0,0,0,0|1,0,0]=4 2673 B13R1.466 CN1CCC(CC1=O)C(=O)CCF 1458a_100000043916_100011217306 [0,3,0,0,0,0|1,0,0]=4 2674 B13R1.466 CN1CCC(CC1=O)C(=O)CCO 1458a_100000043916_100000211926 [0,3,0,0,0,0|1,0,0]=4 2675 B13R1.466 CNNC(=O)C1CCN(C(=O)C1)C 22a_100016993582_100000043916 [0,3,0,0,0,0|1,0,0]=4 2676 B13R1.17 C#CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000753159 [0,3,0,0,0,0|0,0,0]=3 2677 B13R1.17 C#CCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000692101 [0,3,0,0,0,0|1,0,0]=4 2678 B13R1.17 C#CCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000692101 [0,3,0,0,0,0|1,0,0]=4 2679 B13R1.17 C#CCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000692101 [0,3,0,0,0,0|1,0,0]=4 2680 B13R1.17 C#CCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000692101 [0,3,0,0,0,0|1,0,0]=4 2681 B13R1.17 C#CCNC(=O)C1CC=C(CC1)C 11a_100000212058_100000137427 [0,3,0,0,0,0|0,0,0]=3 2682 B13R1.17 C#CCNC(=O)C1CC=C(CC1)C 1626a_100000212058_100000137427 [0,3,0,0,0,0|0,0,0]=3 2683 B13R1.17 C#CCNC(=O)C1CC=C(CC1)C 240690a_100000212058_100000137427 [0,3,0,0,0,0|0,0,0]=3 2684 B13R1.17 C#CCNC(=O)C1CC=C(CC1)C 527a_100000212058_100000137427 [0,3,0,0,0,0|0,0,0]=3 2685 B13R1.17 C#CCNC(=O)N1CC=C(CC1)C 2708a_100000212058_100000693516 [0,3,0,0,0,0|1,0,0]=4 2686 B13R1.17 C#CCNC(=O)N1CC=C(CC1)C 273464a_100000212058_100000693516 [0,3,0,0,0,0|1,0,0]=4 2687 B13R1.17 C/C=C/CC(=O)C1CC=C(CC1)C 1458a_100000137427_100102629194 [0,3,0,0,0,0|0,0,0]=3 2688 B13R1.17 C=CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000754431 [0,3,0,0,0,0|0,0,0]=3 2689 B13R1.17 C=CCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000749702 [0,3,0,0,0,0|1,0,0]=4 2690 B13R1.17 C=CCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000749702 [0,3,0,0,0,0|1,0,0]=4 2691 B13R1.17 C=CCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000749702 [0,3,0,0,0,0|1,0,0]=4 2692 B13R1.17 C=CCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000749702 [0,3,0,0,0,0|1,0,0]=4 2693 B13R1.17 C=CCNC(=O)C1CC=C(CC1)C 1626a_100020586998_100000137427 [0,3,0,0,0,0|0,0,0]=3 2694 B13R1.17 C=CCNC(=O)C1CC=C(CC1)C 240690a_100020586998_100000137427 [0,3,0,0,0,0|0,0,0]=3 2695 B13R1.17 C=CCNC(=O)C1CC=C(CC1)C 527a_100020586998_100000137427 [0,3,0,0,0,0|0,0,0]=3 2696 B13R1.17 C=CCNC(=O)N1CC=C(CC1)C 273464a_100020586998_100000693516 [0,3,0,0,0,0|1,0,0]=4 2697 B13R1.17 CC#CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000748600 [0,3,0,0,0,0|0,0,0]=3 2698 B13R1.17 CC1=CCC(CC1)C(=O)CCC#N 1458a_100000137427_100011215226 [0,3,0,0,0,0|0,0,0]=3 2699 B13R1.17 CC1=CCC(CC1)C(=O)CCCF 1458a_100000137427_100011934791 [0,3,0,0,0,0|0,0,0]=3 2700 B13R1.17 CC1=CCC(CC1)C(=O)CCCO 1458a_100000137427_100011215043 [0,3,0,0,0,0|0,0,0]=3 2701 B13R1.17 CC1=CCC(CC1)C(=O)NCC#N 1626a_100000734998_100000137427 [0,3,0,0,0,0|0,0,0]=3 2702 B13R1.17 CC1=CCC(CC1)C(=O)NCC#N 527a_100000734998_100000137427 [0,3,0,0,0,0|0,0,0]=3 2703 B13R1.17 CC1=CCC(CC1)C(=O)NCCF 11a_100000724931_100000137427 [0,3,0,0,0,0|0,0,0]=3 2704 B13R1.17 CC1=CCC(CC1)C(=O)NCCF 1626a_100000724931_100000137427 [0,3,0,0,0,0|0,0,0]=3 2705 B13R1.17 CC1=CCC(CC1)C(=O)NCCF 240690a_100000724931_100000137427 [0,3,0,0,0,0|0,0,0]=3 2706 B13R1.17 CC1=CCC(CC1)C(=O)NCCF 527a_100000724931_100000137427 [0,3,0,0,0,0|0,0,0]=3 2707 B13R1.17 CC1=CCC(CC1)C(=O)NCCO 240690a_100000210304_100000137427 [0,3,0,0,0,0|0,0,0]=3 2708 B13R1.17 CC1=CCC(CC1)C(=O)NCCO 527a_100000210304_100000137427 [0,3,0,0,0,0|0,0,0]=3 2709 B13R1.17 CC1=CCN(CC1)C(=O)CCC#N 11a_100000693516_100011934036 [0,3,0,0,0,0|1,0,0]=4 2710 B13R1.17 CC1=CCN(CC1)C(=O)CCC#N 1626a_100000693516_100011934036 [0,3,0,0,0,0|1,0,0]=4 2711 B13R1.17 CC1=CCN(CC1)C(=O)CCC#N 240690a_100000693516_100011934036 [0,3,0,0,0,0|1,0,0]=4 2712 B13R1.17 CC1=CCN(CC1)C(=O)CCC#N 527a_100000693516_100011934036 [0,3,0,0,0,0|1,0,0]=4 2713 B13R1.17 CC1=CCN(CC1)C(=O)CN=[N+]=[N-] 11a_100000693516_100000751907 [0,3,0,0,0,0|1,0,0]=4 2714 B13R1.17 CC1=CCN(CC1)C(=O)CN=[N+]=[N-] 240690a_100000693516_100000751907 [0,3,0,0,0,0|1,0,0]=4 2715 B13R1.17 CC1=CCN(CC1)C(=O)NCC#N 2708a_100000734998_100000693516 [0,3,0,0,0,0|1,0,0]=4 2716 B13R1.17 CC1=CCN(CC1)C(=O)NCC#N 273464a_100000734998_100000693516 [0,3,0,0,0,0|1,0,0]=4 2717 B13R1.17 CC1=CCN(CC1)C(=O)NCCF 273464a_100000724931_100000693516 [0,3,0,0,0,0|1,0,0]=4 2718 B13R1.17 CC1=CCN(CC1)C(=O)NCCO 273464a_100000210304_100000693516 [0,3,0,0,0,0|1,0,0]=4 2719 B13R1.17 CC=CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000070051 [0,3,0,0,0,0|0,0,0]=3 2720 B13R1.17 CC=CCC(=O)N1CC=C(CC1)C 11a_100000693516_100121576822 [0,3,0,0,0,0|1,0,0]=4 2721 B13R1.17 CC=CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100121576822 [0,3,0,0,0,0|1,0,0]=4 2722 B13R1.17 CC=CCC(=O)N1CC=C(CC1)C 240690a_100000693516_100121576822 [0,3,0,0,0,0|1,0,0]=4 2723 B13R1.17 CC=CCC(=O)N1CC=C(CC1)C 527a_100000693516_100121576822 [0,3,0,0,0,0|1,0,0]=4 2724 B13R1.17 CCC=CC(=O)N1CC=C(CC1)C 11a_100000693516_100000212282 [0,3,0,0,0,0|1,0,0]=4 2725 B13R1.17 CCC=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100000212282 [0,3,0,0,0,0|1,0,0]=4 2726 B13R1.17 CCC=CC(=O)N1CC=C(CC1)C 240690a_100000693516_100000212282 [0,3,0,0,0,0|1,0,0]=4 2727 B13R1.17 CCCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210211 [0,3,0,0,0,0|0,0,0]=3 2728 B13R1.17 CCCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210183 [0,3,0,0,0,0|1,0,0]=4 2729 B13R1.17 CCCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210183 [0,3,0,0,0,0|1,0,0]=4 2730 B13R1.17 CCCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210183 [0,3,0,0,0,0|1,0,0]=4 2731 B13R1.17 CCCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210183 [0,3,0,0,0,0|1,0,0]=4 2732 B13R1.17 CCCNC(=O)C1CC=C(CC1)C 11a_100020643023_100000137427 [0,3,0,0,0,0|0,0,0]=3 2733 B13R1.17 CCCNC(=O)C1CC=C(CC1)C 1626a_100020643023_100000137427 [0,3,0,0,0,0|0,0,0]=3 2734 B13R1.17 CCCNC(=O)C1CC=C(CC1)C 240690a_100020643023_100000137427 [0,3,0,0,0,0|0,0,0]=3 2735 B13R1.17 CCCNC(=O)C1CC=C(CC1)C 527a_100020643023_100000137427 [0,3,0,0,0,0|0,0,0]=3 2736 B13R1.17 CCCNC(=O)N1CC=C(CC1)C 2708a_100020643023_100000693516 [0,3,0,0,0,0|1,0,0]=4 2737 B13R1.17 CCCNC(=O)N1CC=C(CC1)C 273464a_100020643023_100000693516 [0,3,0,0,0,0|1,0,0]=4 2738 B13R1.17 CCNN=C(C)C1CC=C(CC1)C 4a_100000756455_100000073480 [0,3,0,0,0,0|1,0,0]=4 2739 B13R1.17 CCNNC(=O)C1CC=C(CC1)C 22a_100000756455_100000137427 [0,3,0,0,0,0|0,0,0]=3 2740 B13R1.17 CCOCC(=O)N1CC=C(CC1)C 11a_100000693516_100000211967 [0,3,0,0,0,0|1,0,0]=4 2741 B13R1.17 CCOCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000211967 [0,3,0,0,0,0|1,0,0]=4 2742 B13R1.17 CCOCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000211967 [0,3,0,0,0,0|1,0,0]=4 2743 B13R1.17 CCOCC(=O)N1CC=C(CC1)C 527a_100000693516_100000211967 [0,3,0,0,0,0|1,0,0]=4 2744 B13R1.17 CCSCC(=O)N1CC=C(CC1)C 11a_100000693516_100000230394 [0,3,0,0,0,0|1,0,0]=4 2745 B13R1.17 CCSCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000230394 [0,3,0,0,0,0|1,0,0]=4 2746 B13R1.17 CCSCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000230394 [0,3,0,0,0,0|1,0,0]=4 2747 B13R1.17 CCSCC(=O)N1CC=C(CC1)C 527a_100000693516_100000230394 [0,3,0,0,0,0|1,0,0]=4 2748 B13R1.17 COC=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100016268678 [0,3,0,0,0,0|1,0,0]=4 2749 B13R1.17 COC=CC(=O)N1CC=C(CC1)C 240690a_100000693516_100016268678 [0,3,0,0,0,0|1,0,0]=4 2750 B13R1.17 COCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000233755 [0,3,0,0,0,0|0,0,0]=3 2751 B13R1.17 COCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000749529 [0,3,0,0,0,0|1,0,0]=4 2752 B13R1.17 COCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000749529 [0,3,0,0,0,0|1,0,0]=4 2753 B13R1.17 COCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000749529 [0,3,0,0,0,0|1,0,0]=4 2754 B13R1.17 COCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000749529 [0,3,0,0,0,0|1,0,0]=4 2755 B13R1.17 CSCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000751147 [0,3,0,0,0,0|0,0,0]=3 2756 B13R1.17 CSCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000174002 [0,3,0,0,0,0|1,0,0]=4 2757 B13R1.17 CSCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000174002 [0,3,0,0,0,0|1,0,0]=4 2758 B13R1.17 CSCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000174002 [0,3,0,0,0,0|1,0,0]=4 2759 B13R1.17 CSCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000174002 [0,3,0,0,0,0|1,0,0]=4 2760 B13R1.7274 C=C(C)C1(CC=C(CC1)C)OCC 34a_200011068618_100000210202 [0,3,0,0,0,0|1,0,0]=4 2761 B13R1.7274 C=C(C)C1(CC=C(CC1)C)OCC 7a_200011068618_100000210202 [0,3,0,0,0,0|1,0,0]=4 2762 B13R1.7274 C=C(C)C1(CC=C(CC1)C)OCF 34a_200011068618_100015361967 [0,3,0,0,0,0|1,0,0]=4 2763 B13R1.7274 C=C(C)C1(CC=C(CC1)C)OCF 7a_200011068618_100015361967 [0,3,0,0,0,0|1,0,0]=4 2764 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,1,1,0,0|0,0,0]=3 2765 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,1,1,0,0|0,0,0]=3 2766 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [1,0,1,1,0,0|1,0,0]=4 2767 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [1,0,1,1,0,0|1,0,0]=4 2768 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [1,0,1,1,0,0|1,0,0]=4 2769 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [1,0,1,1,0,0|1,0,0]=4 2770 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,1,1,0,0|0,0,0]=3 2771 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,1,1,0,0|0,0,0]=3 2772 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [1,0,1,1,0,0|1,0,0]=4 2773 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [1,0,1,1,0,0|1,0,0]=4 2774 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [1,0,1,1,0,0|1,0,0]=4 2775 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,1,1,0,0|1,0,0]=4 2776 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [1,0,1,1,0,0|1,0,0]=4 2777 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [1,0,1,1,0,0|1,0,0]=4 2778 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,1,1,0,0|0,0,1]=4 2779 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,1,1,0,0|0,0,1]=4 2780 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [1,0,1,1,0,0|1,0,0]=4 2781 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [1,0,1,1,0,0|1,0,0]=4 2782 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,1,2,0|0,0,1]=4 2783 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,1,2,0|0,0,1]=4 2784 B11R1.43 CCC1=NOC(C1)CC(=O)C 1458a_100000070787_200009817039 [0,0,1,1,0,1|1,0,0]=4 2785 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,1,1,1,0,0|1,0,0]=4 2786 B11R1.153 C=C(C)C(=O)CC1CC(=O)C1 1458a_100000185857_100009874392 [0,1,1,1,0,0|1,0,0]=4 2787 B11R1.1391 C=C(C)CSC1(CC1)C(=O)C 62a_100000086384_100000211660 [0,1,1,1,0,0|1,0,0]=4 2788 B11R1.1391 C=C(C)CSC1(CC1)C(=O)C 62a_100000748629_100000086384 [0,1,1,1,0,0|1,0,0]=4 2789 B11R1.180 C/C=C/CNC1CCNC1=O 34a_100016995588_100102629194 [0,1,1,1,0,0|1,0,0]=4 2790 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,1,1,1,0,0|0,0,0]=3 2791 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,1,1,1,0,0|0,0,0]=3 2792 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [0,1,1,1,0,0|1,0,0]=4 2793 B11R1.180 C/C=C/CO[C@H]1CCNC1=O 34a_100000688343_100102629194 [0,1,1,1,0,0|1,0,0]=4 2794 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,1,1,1,0,0|0,0,0]=3 2795 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,1,1,1,0,0|0,0,0]=3 2796 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [0,1,1,1,0,0|1,0,0]=4 2797 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [0,1,1,1,0,0|1,0,0]=4 2798 B11R1.180 CC=CCNC1CCNC1=O 2230a_100016995588_100000070051 [0,1,1,1,0,0|1,0,0]=4 2799 B11R1.180 CC=CCNC1CCNC1=O 34a_100016995588_100000070051 [0,1,1,1,0,0|1,0,0]=4 2800 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,1,1,1,0,0|0,0,0]=3 2801 B11R1.180 CC=CCO[C@H]1CCNC1=O 34a_100000688343_100000070051 [0,1,1,1,0,0|1,0,0]=4 2802 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,1,1,1,0,0|0,0,0]=3 2803 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,1,1,1,0,0|0,0,0]=3 2804 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [0,1,1,1,0,0|1,0,0]=4 2805 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [0,1,1,1,0,0|1,0,0]=4 2806 B11R1.298 CCC(C(=O)N)N1CC=CC1 269982a_100015195280_100000750255 [0,1,1,1,0,0|1,0,0]=4 2807 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,1,1,0,0|0,0,0]=3 2808 B11R1.991 C/C=C/CNC1(CC1)C(=O)O 269956a_100000746478_100102629194 [0,1,1,1,0,0|1,0,0]=4 2809 B11R1.991 C/C=C/COC1(CC1)C(=O)N 34a_100016270725_100010760883 [0,1,1,1,0,0|1,0,0]=4 2810 B11R1.991 C/C=C/CSC1(CC1)C(=O)C 62a_100000086384_100102629194 [0,1,1,1,0,0|0,0,0]=3 2811 B11R1.991 C/C=C/CSC1(CC1)C(=O)C 62a_100102629194_100000086384 [0,1,1,1,0,0|0,0,0]=3 2812 B11R1.991 C/C=C/CSC1(CC1)C(=O)N 62a_100010760883_100102629194 [0,1,1,1,0,0|1,0,0]=4 2813 B11R1.991 C/C=C/CSC1(CC1)C(=O)N 62a_100102629194_100010760883 [0,1,1,1,0,0|1,0,0]=4 2814 B11R1.991 CC=CCNC1(CC1)C(=O)N 2230a_100000687655_100000070051 [0,1,1,1,0,0|1,0,0]=4 2815 B11R1.991 CC=CCSC1(CC1)C(=O)C 62a_100000070051_100000086384 [0,1,1,1,0,0|0,0,0]=3 2816 B11R1.991 CC=CCSC1(CC1)C(=O)C 62a_100000086384_100000070051 [0,1,1,1,0,0|0,0,0]=3 2817 B11R1.991 CC=CCSC1(CC1)C(=O)N 62a_100000070051_100010760883 [0,1,1,1,0,0|1,0,0]=4 2818 B11R1.991 CC=CCSC1(CC1)C(=O)N 62a_100010760883_100000070051 [0,1,1,1,0,0|1,0,0]=4 2819 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,1,1,1,0,0|0,0,1]=4 2820 B11R1.835 CC=CC(=O)C1(CC1)C(=O)C 1458a_100000210699_100000086384 [0,1,1,1,0,0|0,0,1]=4 2821 B13R2.147 CC1=CCN(CC1)C2CC(=O)C2 269982a_100000693516_100009894365 [0,0,0,1,0,2|1,0,0]=4 2822 B13R2.146 CC1=CCN(CC1)C2CCC2=O 269982a_100000693516_100009892977 [0,1,0,1,0,1|1,0,0]=4 2823 B13R2.146 CC1=CCN(CC1)C2CCC2=O 34a_100000693516_100009892977 [0,1,0,1,0,1|1,0,0]=4 2824 B13R2.430 CC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200000210301 [0,2,0,1,0,0|0,0,1]=4 2825 B13R2.430 [13CH3]C(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200025704644 [0,2,0,1,0,0|0,0,1]=4 2826 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,0,1,0,1,0|1,0,0]=4 2827 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,0,1,0,1,0|1,0,0]=4 2828 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,1,0,2,0|1,0,0]=4 2829 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,1,0,2,0|0,0,1]=4 2830 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,1,0,2,0|1,0,0]=4 2831 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,1,0,2,0|1,0,0]=4 2832 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,1,0,2,0|1,0,0]=4 2833 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,1,0,2,0|0,0,1]=4 2834 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,1,0,2,0|1,0,0]=4 2835 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [2,0,0,0,1,0|1,0,0]=4 2836 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [2,0,0,0,1,0|1,0,0]=4 2837 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [2,0,0,0,1,0|1,0,0]=4 2838 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [2,0,0,0,1,0|1,0,0]=4 2839 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [2,0,0,0,1,0|1,0,0]=4 2840 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [2,0,0,0,1,0|1,0,0]=4 2841 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [2,0,0,0,1,0|1,0,0]=4 2842 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [2,0,0,0,1,0|1,0,0]=4 2843 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,2,0|0,0,0]=3 2844 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,2,0|0,0,0]=3 2845 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,2,0|1,0,0]=4 2846 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,0,2,0|1,0,0]=4 2847 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,0,2,0|1,0,0]=4 2848 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,0,2,0|1,0,0]=4 2849 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,0,2,0|1,0,0]=4 2850 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,0,2,0|1,0,0]=4 2851 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,2,0|0,0,0]=3 2852 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,2,0|1,0,0]=4 2853 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,0,2,0|1,0,0]=4 2854 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,0,3,0|0,0,1]=4 2855 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,0,3,0|0,0,1]=4 2856 B9R0.14 C=CC[C@H](CO)NC(=O)C 240690a_100020615467_100015343762 [1,0,1,0,0,1|1,0,0]=4 2857 B9R0.14 C=CC[C@H](CO)NC(=O)C 527a_100020615467_100103153847 [1,0,1,0,0,1|1,0,0]=4 2858 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,0,1,0,0,1|1,0,0]=4 2859 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,0,1,0,0,1|1,0,0]=4 2860 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,0,1,0,0,1|1,0,0]=4 2861 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,0,1,0,0,1|1,0,0]=4 2862 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,1,0,0,1|0,0,1]=4 2863 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,1,0,0,1|0,0,1]=4 2864 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,1,0,0,1|0,0,1]=4 2865 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,1,0,0,1|0,0,1]=4 2866 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,1,0,0,1|1,0,0]=4 2867 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,1,0,0,1|1,0,0]=4 2868 B11R1.91 C=C(C)COC1CC=CCC1 34a_100000073881_100000748629 [1,0,0,0,0,2|1,0,0]=4 2869 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [1,0,0,0,0,2|1,0,0]=4 2870 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [1,0,0,0,0,2|1,0,0]=4 2871 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [1,0,0,0,0,2|1,0,0]=4 2872 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [1,0,0,0,0,2|1,0,0]=4 2873 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [1,0,0,0,0,2|1,0,0]=4 2874 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 269982a_100000693516_100011215641 [0,0,0,0,0,3|1,0,0]=4 2875 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 34a_100000693516_100000685027 [0,0,0,0,0,3|1,0,0]=4 2876 B13R1.513 CC(=O)NCCN1CC=C(CC1)C 2230a_100000693516_100000189650 [0,0,0,0,0,3|1,0,0]=4 2877 B13R1.513 CC(=O)NCCN1CC=C(CC1)C 269982a_100000693516_100000189650 [0,0,0,0,0,3|1,0,0]=4 2878 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 269982a_100000693516_100009814007 [0,0,0,0,0,3|1,0,0]=4 2879 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 34a_100000693516_100009814007 [0,0,0,0,0,3|1,0,0]=4