0 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100015343762 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100103153847 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100011830302_200025704644 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100015343762 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100015343762 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100015343762 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100103153847 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.850 CC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_200000210301 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210206 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210206 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210206 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210206 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210206 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210206 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210206 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100015343762 [1,0,0,0,0,0|0,0,1]=2 16 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100103153847 [1,0,0,0,0,0|0,0,1]=2 17 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 11a_100020587076_100015343762 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 1626a_100020587076_100015343762 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 240690a_100020587076_100015343762 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 527a_100020587076_100103153847 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.49 CC(=O)N1C[C@H](C[C@H]1CO)F 240690a_100015204000_100015343762 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.49 CC(=O)N1C[C@H](C[C@H]1CO)F 527a_100015204000_100103153847 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.49 CC(C)N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210206 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.49 CC(C)N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210206 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210202 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000204670 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210202 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000204670 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210202 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [1,0,0,0,0,0|0,0,1]=2 32 B11R1.49 NC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100020587027_100015361967 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.178 CC(=O)N1CCCC1C(C)C 11a_100000762757_100015343762 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.178 CC(=O)N1CCCC1C(C)C 1626a_100000762757_100015343762 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.178 CC(=O)N1CCCC1C(C)C 240690a_100000762757_100015343762 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.178 CC(=O)N1CCCC1C(C)C 527a_100000762757_100103153847 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.178 CC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)[13CH3] 1458a_100009927065_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.178 CC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000210206 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B13R1.541 C#CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000035995 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.541 C#CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000035995 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 11a_100025771018_100015343762 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 1626a_100025771018_100015343762 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 240690a_100025771018_100015343762 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 527a_100025771018_100103153847 [0,1,0,0,0,0|1,0,1]=3 60 B13R1.541 C=CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_200121576911 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.541 C=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000185746 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.541 C=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_200121576911 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.541 C=CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100011215867 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.541 C=CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011215867 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.541 C=CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215867 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.541 CC(=O)N1C[C@@H](C[C@H]1C(=O)CF)O 1458a_100011830302_100015361967 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.541 CC(C#N)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000184139 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.541 CC(C#N)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000703298 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.541 CC(C#N)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000184139 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.541 CC(C#N)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000184139 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.541 CC(CO)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100012180447 [0,1,0,0,0,0|1,0,2]=4 72 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210414 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000210414 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210414 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210414 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210414 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000210414 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.541 CCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000210202 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.541 CCC(C)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000758301 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.541 CCC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000758301 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.541 CCC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000758301 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.541 CCC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000758301 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.541 CNC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 273464a_100102657272_100020587027 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.541 CNC(=O)N1C[C@H](C[C@H]1C(=O)N)F 273464a_100102657272_100020614896 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1626a_100102657272_100011830302 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100102657272_100011830302 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 11a_100000724535_100015343762 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 1626a_100000724535_100015343762 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 240690a_100000724535_100015343762 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 527a_100000724535_100103153847 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 2230a_100000724535_100000210206 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 269982a_100000724535_100000210206 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 34a_100000724535_100000210206 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100000753705_100015343762 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 527a_100000753705_100103153847 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(C)C)O 2230a_100000753705_100000210206 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(C)C)O 269982a_100000753705_100000210206 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.541 COC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100009879195 [0,1,0,0,0,0|1,0,2]=4 99 B13R1.541 COC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009879195 [0,1,0,0,0,0|1,0,2]=4 100 B13R1.541 COC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009879195 [0,1,0,0,0,0|0,0,2]=3 101 B13R1.541 C[C@H](CO)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100016084084 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.541 C[C@H](CO)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100016084084 [0,1,0,0,0,0|1,0,2]=4 103 B13R1.541 C[C@H](CO)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100016084084 [0,1,0,0,0,0|0,0,2]=3 104 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 240690a_100020614896_100000210174 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 527a_100020614896_100000210174 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 240690a_100020587027_100000210174 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 527a_100020587027_100000210174 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 11a_100015192519_100015343762 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 1626a_100015192519_100015343762 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 527a_100015192519_100103153847 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.1046 CC(C)N1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000210206 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.3460 CC(C)(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210625 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.3460 CC(C)(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000211941 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.3460 CC(C)(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000211941 [0,1,0,0,0,0|1,0,1]=3 115 B13R1.3460 CS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N)O 40a_100020587027_100000738038 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.3460 CS(=O)(=O)N1C[C@H](C[C@H]1C(=O)N)F 40a_100020614896_100000738038 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.3460 O=C(O)[C@@H]1C[C@@H](CN1C(F)(F)F)O 269956a_100000750407_200000243211 [0,1,0,0,0,0|2,0,1]=4 118 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 240690a_100011218400_100015343762 [0,0,1,0,0,0|1,0,1]=3 119 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 527a_100011218400_100103153847 [0,0,1,0,0,0|1,0,1]=3 120 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)C 1458a_100000699969_200000210301 [0,0,1,0,0,0|2,0,0]=3 121 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100015343762 [0,0,1,0,0,0|2,0,0]=3 122 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100015343762 [0,0,1,0,0,0|2,0,0]=3 123 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100015343762 [0,0,1,0,0,0|2,0,0]=3 124 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100103153847 [0,0,1,0,0,0|2,0,0]=3 125 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)[13CH3] 1458a_100000699969_200025704644 [0,0,1,0,0,0|2,0,0]=3 126 B11R0.44 CC(=O)C(C)N(CCO)C(C)C 2230a_100000224655_100009814033 [0,0,1,0,0,0|2,0,1]=4 127 B11R0.44 CC(=O)C(C)N(CCO)C(C)C 269982a_100000224655_100009814033 [0,0,1,0,0,0|2,0,1]=4 128 B11R0.44 CC(C)N(CCO)C(C)C(=O)N 2230a_100000224655_100000702099 [0,0,1,0,0,0|2,0,1]=4 129 B11R0.44 CC(C)N(CCO)C(C)C(=O)N 269982a_100000224655_100000184083 [0,0,1,0,0,0|2,0,1]=4 130 B11R0.44 CC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100000210206 [0,0,1,0,0,0|1,0,1]=3 131 B13R2.3014 NC(=O)[C@@H]1C[C@H](CN1C2CC2)O 269982a_100020587027_100000211595 [0,0,0,1,0,0|2,0,1]=4 132 B13R2.3014 O=C(O)[C@@H]1C[C@@H](CN1C2CC2)F 269956a_100016993324_100000211595 [0,0,0,1,0,0|2,0,1]=4 133 B13R2.3014 O=C(O)[C@@H]1C[C@@H](CN1C2CC2)O 269956a_100000750407_100000211595 [0,0,0,1,0,0|1,0,1]=3 134 B13R1.165 CC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100000210206 [0,0,0,0,0,1|1,0,1]=3 135 B13R1.165 CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210206 [0,0,0,0,0,1|2,0,1]=4 136 B13R1.3487 C=C(C)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000748629 [0,0,0,0,0,1|2,0,0]=3 137 B13R1.3487 C=C(C)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000748629 [0,0,0,0,0,1|2,0,0]=3 138 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000748629 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000748629 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000748629 [0,0,0,0,0,1|3,0,0]=4 141 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000748629 [0,0,0,0,0,1|2,0,0]=3 142 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000748629 [0,0,0,0,0,1|1,0,0]=2 143 B13R1.3487 C=C(F)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100009893438 [0,0,0,0,0,1|2,0,1]=4 144 B13R1.3487 C=C(F)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100009893438 [0,0,0,0,0,1|2,0,1]=4 145 B13R1.3487 C=C(F)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000042424 [0,0,0,0,0,1|2,0,1]=4 146 B13R1.3487 C=C(F)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000042424 [0,0,0,0,0,1|1,0,1]=3 147 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210760 [0,0,0,0,0,1|2,0,1]=4 148 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210624 [0,0,0,0,0,1|2,0,1]=4 149 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 270004a_100020587027_100000210432 [0,0,0,0,0,1|2,0,1]=4 150 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210760 [0,0,0,0,0,1|2,0,1]=4 151 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210760 [0,0,0,0,0,1|1,0,1]=3 152 B13R1.3487 CC(O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100011218427 [0,0,0,0,0,1|1,0,2]=4 153 B13R1.3487 CC(O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100011218427 [0,0,0,0,0,1|1,0,2]=4 154 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011218427 [0,0,0,0,0,1|1,0,2]=4 155 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218427 [0,0,0,0,0,1|0,0,2]=3 156 B13R1.3487 C[C@@H](O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100009817552 [0,0,0,0,0,1|1,0,2]=4 157 B13R1.3487 C[C@@H](O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100009817552 [0,0,0,0,0,1|1,0,2]=4 158 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009817552 [0,0,0,0,0,1|1,0,2]=4 159 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009817552 [0,0,0,0,0,1|0,0,2]=3 160 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747473 [0,0,0,0,0,1|2,0,0]=3 161 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000187820 [0,0,0,0,0,1|2,0,0]=3 162 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000747473 [0,0,0,0,0,1|3,0,0]=4 163 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000187820 [0,0,0,0,0,1|3,0,0]=4 164 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000187820 [0,0,0,0,0,1|3,0,0]=4 165 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000187820 [0,0,0,0,0,1|2,0,0]=3 166 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000187820 [0,0,0,0,0,1|1,0,0]=2 167 B13R1.3487 NC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 269982a_100020614896_100020667443 [0,0,0,0,0,1|3,0,0]=4 168 B13R1.3487 NC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 34a_100020614896_100020667443 [0,0,0,0,0,1|3,0,0]=4 169 B13R1.3487 NC(=O)[C@@H]1C[C@H](CN1CC(=O)[O-])O 269982a_100020587027_100020667443 [0,0,0,0,0,1|2,0,0]=3 170 B13R1.3487 NC(=O)[C@@H]1C[C@H](CN1C[N+](=O)[O-])O 269982a_100020587027_100000761209 [0,0,0,0,0,1|3,0,0]=4 171 B13R1.3487 O=C(O)[C@@H]1C[C@@H](CN1CC(F)F)O 269956a_100000750407_100011934356 [0,0,0,0,0,1|2,0,1]=4 172 B13R1.3487 O=C(O)[C@@H]1C[C@@H](CN1C[N+](=O)[O-])F 269956a_100016993324_100000761209 [0,0,0,0,0,1|3,0,0]=4 173 B13R1.3487 O=C(O)[C@@H]1C[C@@H](CN1C[N+](=O)[O-])O 269956a_100000750407_100000761209 [0,0,0,0,0,1|2,0,0]=3 174 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100020667443 [0,0,0,0,0,1|2,0,0]=3 175 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100020667443 [0,0,0,0,0,1|1,0,0]=2 176 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [1,0,1,0,0,0|1,0,1]=4 177 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [1,0,1,0,0,0|1,0,1]=4 178 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [1,0,1,0,0,0|0,0,1]=3 179 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [1,0,1,0,0,0|0,0,1]=3 180 B10R0.23 CC(C)N(CCO)CC(=O)O 269956a_100000747938_100000210206 [1,0,1,0,0,0|1,0,1]=4 181 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [1,0,1,0,0,0|1,0,0]=3 182 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [1,0,1,0,0,0|1,0,0]=3 183 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [1,0,1,0,0,0|1,0,0]=3 184 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [1,0,1,0,0,0|1,0,0]=3 185 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [1,0,1,0,0,0|1,0,0]=3 186 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [1,0,1,0,0,0|1,0,0]=3 187 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,0,1,0,0,0|1,0,1]=4 188 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [1,0,1,0,0,0|2,0,0]=4 189 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [1,0,1,0,0,0|2,0,0]=4 190 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [1,0,1,0,0,0|1,0,1]=4 191 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [1,0,1,0,0,0|1,0,1]=4 192 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 2230a_100000729506_100000747473 [1,0,1,0,0,0|1,0,1]=4 193 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 269982a_100000729506_100000187820 [1,0,1,0,0,0|1,0,1]=4 194 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [1,0,1,0,0,0|1,0,1]=4 195 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [1,0,1,0,0,0|0,0,1]=3 196 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [1,0,1,0,0,0|0,0,1]=3 197 B10R0.70 CCN(CC(=O)[O-])C[C@H](C)O 269982a_100000729506_100020667443 [1,0,1,0,0,0|0,0,2]=4 198 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [1,0,1,0,0,0|1,0,1]=4 199 B10R0.25 CCN(CCO)C(C)C(=O)C 2230a_100000210973_100009814033 [1,0,1,0,0,0|1,0,1]=4 200 B10R0.25 CCN(CCO)C(C)C(=O)C 269982a_100000210973_100009814033 [1,0,1,0,0,0|1,0,1]=4 201 B10R0.25 CCN(CCO)C(C)C(=O)N 2230a_100000210973_100000702099 [1,0,1,0,0,0|1,0,1]=4 202 B10R0.25 CCN(CCO)C(C)C(=O)N 2230a_100020603310_100000211926 [1,0,1,0,0,0|1,0,1]=4 203 B10R0.25 CCN(CCO)C(C)C(=O)N 269982a_100000210973_100000184083 [1,0,1,0,0,0|1,0,1]=4 204 B10R0.25 CCN(CCO)C(C)C(=O)N 269982a_100020603310_100000211926 [1,0,1,0,0,0|1,0,1]=4 205 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [1,0,1,0,0,0|0,0,1]=3 206 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [1,0,1,0,0,0|1,0,1]=4 207 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [1,0,1,0,0,0|1,0,1]=4 208 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 11a_100020603310_100015343762 [1,0,1,0,0,0|1,0,0]=3 209 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 1626a_100020603310_100015343762 [1,0,1,0,0,0|1,0,0]=3 210 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 240690a_100020603310_100015343762 [1,0,1,0,0,0|1,0,0]=3 211 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 527a_100020603310_100103153847 [1,0,1,0,0,0|1,0,0]=3 212 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [1,0,1,0,0,0|1,0,0]=3 213 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [1,0,1,0,0,0|1,0,0]=3 214 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [1,0,1,0,0,0|1,0,0]=3 215 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [1,0,1,0,0,0|1,0,0]=3 216 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,0,1,0,0,0|1,0,1]=4 217 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,0,1,0,0,0|1,0,1]=4 218 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,1,0,0,0|2,0,0]=4 219 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,1,0,0,0|2,0,0]=4 220 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,1,0,0,0|2,0,0]=4 221 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,1,0,0,0|2,0,0]=4 222 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,1,0,0,0|1,0,0]=3 223 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,1,0,0,0|1,0,0]=3 224 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,1,0,0,0|1,0,0]=3 225 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,1,0,0,0|1,0,0]=3 226 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [1,0,1,0,0,0|2,0,0]=4 227 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [1,0,1,0,0,0|2,0,0]=4 228 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [1,0,1,0,0,0|2,0,0]=4 229 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [1,0,1,0,0,0|2,0,0]=4 230 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [1,0,1,0,0,0|2,0,0]=4 231 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,1,0,0,0|1,0,0]=3 232 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [1,0,1,0,0,0|2,0,0]=4 233 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [1,0,1,0,0,0|1,0,1]=4 234 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [1,0,1,0,0,0|2,0,0]=4 235 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [1,0,1,0,0,0|2,0,0]=4 236 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [1,0,1,0,0,0|1,0,1]=4 237 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [1,0,1,0,0,0|1,0,1]=4 238 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,1,0,0,0|2,0,0]=4 239 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210202 [2,0,0,0,0,0|0,0,2]=4 241 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000204670 [2,0,0,0,0,0|0,0,2]=4 242 B10R1.39 CC(=O)N1CCCC1C#N 11a_100000701862_100015343762 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.39 CC(=O)N1CCCC1C#N 1626a_100000701862_100015343762 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.39 CC(=O)N1CCCC1C#N 240690a_100000701862_100015343762 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.39 CC(=O)N1CCCC1C#N 527a_100000701862_100103153847 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100015343762 [2,0,0,0,0,0|1,0,1]=4 247 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100103153847 [2,0,0,0,0,0|1,0,1]=4 248 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [2,0,0,0,0,0|0,0,1]=3 249 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [2,0,0,0,0,0|0,0,1]=3 250 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [2,0,0,0,0,0|1,0,1]=4 252 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [2,0,0,0,0,0|1,0,1]=4 253 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [2,0,0,0,0,0|1,0,1]=4 254 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [2,0,0,0,0,0|1,0,1]=4 255 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [2,0,0,0,0,0|0,0,1]=3 258 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [2,0,0,0,0,0|1,0,1]=4 259 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [2,0,0,0,0,0|1,0,1]=4 260 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [2,0,0,0,0,0|0,0,0]=2 270 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [2,0,0,0,0,0|0,0,0]=2 277 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 240690a_100016989234_100000210174 [0,1,1,0,0,0|2,0,0]=4 278 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 527a_100016989234_100000210174 [0,1,1,0,0,0|2,0,0]=4 279 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210414 [0,1,1,0,0,0|2,0,0]=4 280 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000210414 [0,1,1,0,0,0|2,0,0]=4 281 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000210414 [0,1,1,0,0,0|2,0,0]=4 282 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100000210414 [0,1,1,0,0,0|2,0,0]=4 283 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100016989234_100102657272 [0,1,1,0,0,0|2,0,0]=4 284 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100102657272_100016989234 [0,1,1,0,0,0|2,0,0]=4 285 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 512a_100016989234_100102657272 [0,1,1,0,0,0|2,0,0]=4 286 B12R0.151 COC(=O)NC(CC(C)C)C(=O)C 1458a_100000745475_200000210301 [0,1,1,0,0,0|2,0,0]=4 287 B12R0.151 COC(=O)NC(CC(C)C)C(=O)[13CH3] 1458a_100000745475_200025704644 [0,1,1,0,0,0|2,0,0]=4 288 B12R0.180 C=C(C)CC(NC(=O)C)C(=O)OC 188690a_103436540025_100015343762 [0,1,1,0,0,0|1,0,1]=4 289 B12R0.180 CC(=O)N[C@@H](CC(C)C)C(=O)CF 1458a_100000699969_100015361967 [0,1,1,0,0,0|2,0,0]=4 290 B12R0.180 CC(O)CN(CC(C)O)C(=O)CO 240690a_100011218400_100000210174 [0,1,1,0,0,0|1,0,1]=4 291 B12R0.180 CC(O)CN(CC(C)O)C(=O)CO 527a_100011218400_100000210174 [0,1,1,0,0,0|1,0,1]=4 292 B12R0.180 CCC(=O)N(CC(C)O)CC(C)O 240690a_100011218400_100000210414 [0,1,1,0,0,0|1,0,1]=4 293 B12R0.180 CCC(=O)N(CC(C)O)CC(C)O 527a_100011218400_100000210414 [0,1,1,0,0,0|1,0,1]=4 294 B12R0.180 CCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000210202 [0,1,1,0,0,0|2,0,0]=4 295 B12R0.180 CNC(=O)N(CC(C)O)CC(C)O 2708a_100102657272_100011218400 [0,1,1,0,0,0|1,0,1]=4 296 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 11a_106832991635_100000699969 [0,1,1,0,0,0|2,0,0]=4 297 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 1626a_100102657272_100000699969 [0,1,1,0,0,0|2,0,0]=4 298 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 240690a_100102657272_100000699969 [0,1,1,0,0,0|2,0,0]=4 299 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 527a_100102657272_100000699969 [0,1,1,0,0,0|2,0,0]=4 300 B12R0.180 COC(=O)C(CN(C)C)NC(=O)C 269982a_100102631434_100000763271 [0,1,1,0,0,0|2,0,0]=4 301 B12R0.180 COC(=O)[C@@H](CC(C)C)NC(=O)C 188690a_100000005450_100015343762 [0,1,1,0,0,0|1,0,0]=3 302 B12R0.386 CC(O)CN(CC(=O)O)C(C)(C)C 269956a_100000745166_100011218427 [0,1,1,0,0,0|1,0,1]=4 303 B12R0.386 C[C@@H](O)CN(CC(=O)O)C(C)(C)C 269956a_100000745166_100009817552 [0,1,1,0,0,0|1,0,1]=4 304 B12R0.393 CC(=O)N[C@@H](CC(C)(C)C)C(=O)C 1458a_200009826755_200000210301 [0,1,1,0,0,0|2,0,0]=4 305 B12R0.393 CC(=O)N[C@@H](CC(C)(C)C)C(=O)[13CH3] 1458a_200009826755_200025704644 [0,1,1,0,0,0|2,0,0]=4 306 B12R0.50 C#CC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_200000035995 [0,1,1,0,0,0|1,0,1]=4 307 B12R0.50 C=CC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100011215867 [0,1,1,0,0,0|1,0,1]=4 308 B12R0.50 CC(C#N)N(CCO)C(C)C(=O)O 269956a_100011300695_100000184139 [0,1,1,0,0,0|1,0,1]=4 309 B12R0.50 CC(C(=O)O)N(CCO)[C@H](C)CO 269956a_100011300695_100016084084 [0,1,1,0,0,0|0,0,2]=4 310 B12R0.50 CCC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100000758301 [0,1,1,0,0,0|1,0,1]=4 311 B12R0.50 COC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100009879195 [0,1,1,0,0,0|0,0,2]=4 312 B12R0.232 COC(=O)C(C)N(CCO)C(C)C 2230a_100000224655_100000211248 [0,1,1,0,0,0|1,0,1]=4 313 B12R0.232 COC(=O)C(C)N(CCO)C(C)C 269982a_100000224655_100000211248 [0,1,1,0,0,0|1,0,1]=4 314 B12R0.819 CC(C(=O)O)N(CCO)C(C)(C)C 269956a_100011300695_100000211941 [0,1,1,0,0,0|1,0,1]=4 315 B12R1.276 C#CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000184674 [1,1,0,0,0,0|0,0,2]=4 316 B12R1.276 C=CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210623 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.276 C=CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210623 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.276 C=CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210623 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.276 C=CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210623 [1,1,0,0,0,0|0,0,1]=3 320 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210303 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210303 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [1,1,0,0,0,0|0,0,1]=3 324 B12R1.276 COCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000766300 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.276 COCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000766300 [1,1,0,0,0,0|1,0,1]=4 326 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000766300 [1,1,0,0,0,0|1,0,1]=4 327 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000766300 [1,1,0,0,0,0|0,0,1]=3 328 B12R1.276 CSCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100011218213 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.276 CSCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100011218213 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011218213 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218213 [1,1,0,0,0,0|0,0,1]=3 332 B12R1.276 N#CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215382 [1,1,0,0,0,0|0,0,2]=4 333 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CC=O)F 2230a_100020614896_200015260668 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CC=O)F 269982a_100020614896_200015260668 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CC=O)F 34a_100020614896_200009817547 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CC=O)O 2230a_100020587027_200015260668 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CC=O)O 269982a_100020587027_200015260668 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCF)O 2230a_100020587027_100011217306 [1,1,0,0,0,0|1,0,1]=4 339 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCF)O 269982a_100020587027_100011217306 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100020587027_100000211926 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100020587027_100000211926 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)F 269956a_100016993324_100011217306 [1,1,0,0,0,0|1,0,1]=4 343 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)O 269956a_100000750407_100011217306 [1,1,0,0,0,0|0,0,1]=3 344 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)F 269956a_100016993324_100000211926 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)O 269956a_100000750407_100000211926 [1,1,0,0,0,0|0,0,1]=3 346 B12R1.276 O=CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200015260668 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.276 O=CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200015260668 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.592 CC(=O)N1CC(C[C@@H]1CO)(C)C 11a_100020977354_100015343762 [1,1,0,0,0,0|1,0,1]=4 349 B12R1.592 CC(=O)N1CC(C[C@@H]1CO)(C)C 240690a_100020977354_100015343762 [1,1,0,0,0,0|1,0,1]=4 350 B12R1.592 CC(=O)N1CC(C[C@@H]1CO)(C)C 527a_100020977354_100103153847 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.592 CC(=O)N1CC(C[C@H]1CO)(F)F 240690a_100016994357_100015343762 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.592 CC(=O)N1CC(C[C@H]1CO)(F)F 527a_100016994357_100103153847 [1,1,0,0,0,0|1,0,1]=4 353 B12R1.592 CCN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000210202 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.1926 C=CC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_200121576911 [1,1,0,0,0,0|0,0,2]=4 355 B12R1.1926 CCC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100000210414 [1,1,0,0,0,0|0,0,1]=3 356 B12R1.1926 CCC(=O)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100000210414 [1,1,0,0,0,0|0,0,1]=3 357 B12R1.1926 CCC(=O)N1C[C@H](C[C@H]1CO)F 240690a_100015204000_100000210414 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.1926 CCC(=O)N1C[C@H](C[C@H]1CO)F 527a_100015204000_100000210414 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000210202 [1,1,0,0,0,0|0,0,1]=3 360 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000204670 [1,1,0,0,0,0|0,0,1]=3 361 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000210202 [1,1,0,0,0,0|1,0,1]=4 362 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000204670 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000210202 [1,1,0,0,0,0|1,0,1]=4 364 B12R1.1926 CNC(=O)N1C[C@@H](C[C@H]1CO)O 2708a_100102657272_100000707816 [1,1,0,0,0,0|0,0,1]=3 365 B12R1.1926 CNC(=O)N1C[C@@H](C[C@H]1CO)O 273464a_100102657272_100000707816 [1,1,0,0,0,0|0,0,1]=3 366 B12R1.1926 CNC(=O)N1C[C@H](C[C@H]1CO)F 2708a_100102657272_100015204000 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.1926 CNC(=O)N1C[C@H](C[C@H]1CO)F 273464a_100102657272_100015204000 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.1926 COC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100000753705_100015361967 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.1926 O=C(CO)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100000210174 [1,1,0,0,0,0|0,0,1]=3 370 B12R1.1926 O=C(CO)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100000210174 [1,1,0,0,0,0|0,0,1]=3 371 B12R1.1926 O=C(CO)N1C[C@H](C[C@H]1CO)F 240690a_100015204000_100000210174 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.1926 O=C(CO)N1C[C@H](C[C@H]1CO)F 527a_100015204000_100000210174 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.263 CC(=O)C1CCCN1S(=O)(=O)C 1458a_100000165837_200000210301 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 11a_100020587339_100015343762 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 1626a_100020587339_100015343762 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 240690a_100020587339_100015343762 [1,1,0,0,0,0|1,0,1]=4 377 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 527a_100020587339_100103153847 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.263 CC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000211941 [1,1,0,0,0,0|1,0,1]=4 379 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)[13CH3] 1458a_100000165837_200025704644 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.263 CS(=O)(=O)N1CCC[C@H]1C(=O)N 40a_100000003125_100000738038 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.368 C#CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200000035995 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.368 C=CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_200121576911 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.368 C=CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215867 [1,1,0,0,0,0|1,0,1]=4 384 B12R1.368 CC(=O)N1CCC[C@H]1C(=O)CF 1458a_100011416801_100015361967 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.368 CC(=O)N1CSC[C@H]1C(=O)CF 1458a_100011417960_100015361967 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.368 CC(C#N)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000184139 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.368 CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210202 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.368 CCC(=O)N1CCCC1C(=O)C 1458a_200000194913_200000210301 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.368 CCC(=O)N1CCCC1C(=O)[13CH3] 1458a_200000194913_200025704644 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210414 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210414 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210414 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.368 CCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000210202 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.368 CNC(=O)C1CCCN1C(=O)N 1626a_100102657272_200000183025 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.368 CNC(=O)C1CCCN1C(=O)N 240690a_100102657272_200000183025 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.368 CNC(=O)N1CCC[C@H]1C(=O)N 273464a_100102657272_100000003125 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_100015185040_100015343762 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_106832991635_100011416801 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100015185040_100015343762 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100102657272_100011416801 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100015185040_100015343762 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100102657272_100011416801 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 527a_100015185040_100103153847 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 11a_106832991635_100011417960 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 1626a_100102657272_100011417960 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 240690a_100102657272_100011417960 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 527a_100102657272_100011417960 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.368 COC(=O)C1CSCN1C(=O)C 11a_200000724679_100015343762 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.368 COC(=O)C1CSCN1C(=O)C 240690a_200000724679_100015343762 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.368 COC(=O)C1SCCN1C(=O)C 11a_100015296106_100015343762 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.368 COC(=O)C1SCCN1C(=O)C 240690a_100015296106_100015343762 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.368 COC(=O)C1SCCN1C(=O)C 527a_100015296106_100103153847 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 11a_100000752040_100015343762 [1,1,0,0,0,0|0,0,0]=2 416 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000752040_100015343762 [1,1,0,0,0,0|0,0,0]=2 417 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000752040_100015343762 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 527a_100000752040_100103153847 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 2230a_100000752040_100000210206 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 269982a_100000752040_100000210206 [1,1,0,0,0,0|1,0,1]=4 421 B12R1.368 COC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009879195 [1,1,0,0,0,0|0,0,2]=4 422 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [1,1,0,0,0,0|0,0,2]=4 423 B12R1.368 NC(=O)N1CCCC1C(=O)CF 1458a_200000183025_100015361967 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100000003125_100000210174 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 527a_100000003125_100000210174 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)C 1458a_200009820353_200000210301 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)[13CH3] 1458a_200009820353_200025704644 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.1388 CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210206 [1,1,0,0,0,0|1,0,1]=4 429 B14R1.712 COC(=O)C1CC(CN(C1)C(=O)C)C 240690a_100009871960_100015343762 [0,1,0,0,0,1|1,0,0]=3 430 B14R1.712 COC(=O)C1CC(CN(C1)C(=O)C)O 240690a_100016995069_100015343762 [0,1,0,0,0,1|0,0,0]=2 431 B14R1.712 COC(=O)C1CC(CN(C1)C(=O)C)O 527a_100016995069_100103153847 [0,1,0,0,0,1|0,0,0]=2 432 B14R1.712 COC(=O)C1CC(CN(C1)C(C)C)O 2230a_100016995069_100000210206 [0,1,0,0,0,1|1,0,1]=4 433 B14R1.712 COC(=O)C1CC(CN(C1)C(C)C)O 269982a_100016995069_100000210206 [0,1,0,0,0,1|1,0,1]=4 434 B14R1.707 C#CC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_200000035995 [0,1,0,0,0,1|1,0,1]=4 435 B14R1.707 C=CC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100011215867 [0,1,0,0,0,1|1,0,1]=4 436 B14R1.707 CC(C#N)N1CC(CCC1C(=O)O)O 269956a_100000089875_100000184139 [0,1,0,0,0,1|1,0,1]=4 437 B14R1.707 CCC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100000758301 [0,1,0,0,0,1|1,0,1]=4 438 B14R1.707 COC(=O)C1CC(CCN1C(=O)C)O 240690a_100020629045_100015343762 [0,1,0,0,0,1|0,0,0]=2 439 B14R1.707 COC(=O)C1CC(CCN1C(=O)C)O 527a_100020629045_100103153847 [0,1,0,0,0,1|0,0,0]=2 440 B14R1.707 COC(=O)C1CC(CCN1C(C)C)O 2230a_100020629045_100000210206 [0,1,0,0,0,1|1,0,1]=4 441 B14R1.707 COC(=O)C1CC(CCN1C(C)C)O 269982a_100020629045_100000210206 [0,1,0,0,0,1|1,0,1]=4 442 B14R1.707 COC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100009879195 [0,1,0,0,0,1|0,0,2]=4 443 B14R1.707 C[C@H](CO)N1CC(CCC1C(=O)O)O 269956a_100000089875_100016084084 [0,1,0,0,0,1|0,0,2]=4 444 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 11a_200015373194_100015343762 [0,1,0,0,0,1|0,0,2]=4 445 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 1626a_200015373194_100015343762 [0,1,0,0,0,1|0,0,2]=4 446 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 240690a_200015373194_100015343762 [0,1,0,0,0,1|0,0,2]=4 447 B14R1.6044 CC(C)(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100000211941 [0,1,0,0,0,1|1,0,1]=4 448 B14R1.724 C=C(C)CN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000748629 [0,1,0,0,0,1|1,0,0]=3 449 B14R1.724 C=C(C)CN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000748629 [0,1,0,0,0,1|1,0,0]=3 450 B14R1.724 C=C(C)CN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000748629 [0,1,0,0,0,1|2,0,0]=4 451 B14R1.724 C=C(C)CN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000748629 [0,1,0,0,0,1|2,0,0]=4 452 B14R1.724 C=C(C)CN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000748629 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.724 C=C(F)CN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100009893438 [0,1,0,0,0,1|1,0,1]=4 454 B14R1.724 C=C(F)CN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100009893438 [0,1,0,0,0,1|1,0,1]=4 455 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(=O)N)F 2230a_100000724535_100000747473 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(=O)N)F 269982a_100000724535_100000187820 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(=O)N)F 34a_100000724535_100000187820 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 269982a_100000724535_100020667443 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 34a_100000724535_100020667443 [0,1,0,0,0,1|2,0,0]=4 460 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(=O)N)O 2230a_100000753705_100000747473 [0,1,0,0,0,1|1,0,0]=3 461 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(=O)N)O 269982a_100000753705_100000187820 [0,1,0,0,0,1|1,0,0]=3 462 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(=O)[O-])O 269982a_100000753705_100020667443 [0,1,0,0,0,1|1,0,0]=3 463 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 2230a_100000753705_100000210760 [0,1,0,0,0,1|1,0,1]=4 464 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 269982a_100000753705_100000210624 [0,1,0,0,0,1|1,0,1]=4 465 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 270004a_100000753705_100000210432 [0,1,0,0,0,1|1,0,1]=4 466 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)O)O 2230a_100000753705_100011218427 [0,1,0,0,0,1|0,0,2]=4 467 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)O)O 269982a_100000753705_100011218427 [0,1,0,0,0,1|0,0,2]=4 468 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1C[C@@H](C)O)O 2230a_100000753705_100009817552 [0,1,0,0,0,1|0,0,2]=4 469 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1C[C@@H](C)O)O 269982a_100000753705_100009817552 [0,1,0,0,0,1|0,0,2]=4 470 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1C[N+](=O)[O-])O 269982a_100000753705_100000761209 [0,1,0,0,0,1|2,0,0]=4 471 B14R1.1467 C=C(C)CN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000748629 [0,1,0,0,0,1|2,0,0]=4 472 B14R1.1467 NC(=O)CN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000187820 [0,1,0,0,0,1|2,0,0]=4 473 B14R1.1467 O=C([O-])CN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100020667443 [0,1,0,0,0,1|2,0,0]=4 474 B14R1.3299 C=C(C#N)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000694840 [0,1,0,0,0,1|1,0,1]=4 475 B14R1.3299 CCC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000747405 [0,1,0,0,0,1|1,0,0]=3 476 B14R1.3299 CCC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000747405 [0,1,0,0,0,1|2,0,0]=4 477 B14R1.3299 CCC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000747405 [0,1,0,0,0,1|1,0,0]=3 478 B14R1.3299 CCC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000747405 [0,1,0,0,0,1|0,0,0]=2 479 B14R1.3299 CCC(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000748023 [0,1,0,0,0,1|1,0,1]=4 480 B14R1.3299 CCC(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218378 [0,1,0,0,0,1|0,0,2]=4 481 B14R1.3299 CC[C@H](C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009816398 [0,1,0,0,0,1|1,0,1]=4 482 B14R1.3299 CNC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000183359 [0,1,0,0,0,1|1,0,0]=3 483 B14R1.3299 CNC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000183359 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000183359 [0,1,0,0,0,1|2,0,0]=4 485 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000183359 [0,1,0,0,0,1|2,0,0]=4 486 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000183359 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000183359 [0,1,0,0,0,1|1,0,0]=3 488 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000183359 [0,1,0,0,0,1|0,0,0]=2 489 B14R1.3299 COC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747449 [0,1,0,0,0,1|1,0,0]=3 490 B14R1.3299 COC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000747449 [0,1,0,0,0,1|1,0,0]=3 491 B14R1.3299 COC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000747449 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.3299 COC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000747449 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.3299 COC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000747449 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.3299 COC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000747449 [0,1,0,0,0,1|1,0,0]=3 495 B14R1.3299 COC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000747449 [0,1,0,0,0,1|0,0,0]=2 496 B14R1.3299 C[C@@H](CO)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000059175 [0,1,0,0,0,1|0,0,2]=4 497 B14R1.3299 O=C(O)[C@@H]1C[C@@H](CN1CC(O)CO)O 269956a_100000750407_100011219619 [0,1,0,0,0,1|0,0,2]=4 498 B14R1.3299 O=C(O)[C@@H]1C[C@@H](CN1C[C@@H](O)CF)O 269956a_100000750407_100015614560 [0,1,0,0,0,1|0,0,2]=4 499 B14R1.3299 O=C(O)[C@@H]1C[C@@H](CN1C[C@@H](O)CO)O 269956a_100000750407_100009815848 [0,1,0,0,0,1|0,0,2]=4 500 B14R1.4350 CC(=O)C(C)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100009814033 [0,1,0,0,0,1|1,0,0]=3 501 B14R1.4350 CC(=O)C(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100009814033 [0,1,0,0,0,1|1,0,0]=3 502 B14R1.4350 CC(=O)C(C)N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100009814033 [0,1,0,0,0,1|2,0,0]=4 503 B14R1.4350 CC(=O)C(C)N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100009814033 [0,1,0,0,0,1|2,0,0]=4 504 B14R1.4350 CC(=O)C(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009814033 [0,1,0,0,0,1|1,0,0]=3 505 B14R1.4350 CC(=O)C(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009814033 [0,1,0,0,0,1|0,0,0]=2 506 B14R1.4350 CC(C(=O)N)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000702099 [0,1,0,0,0,1|2,0,0]=4 507 B14R1.4350 CC(C(=O)N)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000184083 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.4350 NC(=O)C(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100011215815 [0,1,0,0,0,1|2,0,0]=4 509 B14R1.4350 NC(=O)C(F)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100009813875 [0,1,0,0,0,1|2,0,0]=4 510 B14R1.4350 NC(=O)C(F)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100009813875 [0,1,0,0,0,1|2,0,0]=4 511 B14R1.4384 CC(C)(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011219605 [0,1,0,0,0,1|1,0,1]=4 512 B14R1.4384 CC(C)(F)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011997219 [0,1,0,0,0,1|1,0,1]=4 513 B14R1.4384 CC(C)(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000764493 [0,1,0,0,0,1|0,0,2]=4 514 B14R1.4384 C[N+](C)(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000036245 [0,1,0,0,0,1|2,0,0]=4 515 B14R1.4384 C[Si](C)(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000037933 [0,1,0,0,0,1|1,1,0]=4 516 B14R1.4384 NS(=O)(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000741382 [0,1,0,0,0,1|2,0,0]=4 517 B14R1.4384 O=C(O)[C@@H]1C[C@@H](CN1CS(=O)(=O)[O-])O 269956a_100000750407_100009817235 [0,1,0,0,0,1|2,0,0]=4 518 B14R1.311 C#CC(C)(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000038118 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.311 CCC(C)(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000032637 [0,2,0,0,0,0|1,0,1]=4 520 B14R1.311 CCS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N)O 270084a_100020587027_100000211323 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.311 CCS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N)O 274078a_100020587027_100000211323 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.311 CCS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N)O 40a_100020587027_100000053943 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.311 NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)CCl)O 270084a_100020587027_100000031410 [0,2,0,0,0,0|2,0,0]=4 524 B14R1.311 NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)CCl)O 274078a_100020587027_100000031410 [0,2,0,0,0,0|2,0,0]=4 525 B14R1.311 O=C(O)[C@@H]1C[C@@H](CN1C(F)(F)CO)O 269956a_100000750407_100011217949 [0,2,0,0,0,0|1,0,1]=4 526 B14R1.399 CCC(CC)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210505 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.399 O=CC(C=O)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218033 [0,2,0,0,0,0|0,0,2]=4 528 B14R1.615 C#CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100011220946 [0,2,0,0,0,0|1,0,0]=3 529 B14R1.615 C#CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100011220946 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.615 C#CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100011220946 [0,2,0,0,0,0|2,0,0]=4 531 B14R1.615 C#CCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000184674 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.615 C=CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210193 [0,2,0,0,0,0|1,0,0]=3 533 B14R1.615 C=CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000210193 [0,2,0,0,0,0|1,0,0]=3 534 B14R1.615 C=CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210193 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.615 C=CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210193 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.615 C=CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210193 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.615 C=CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000210193 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.615 C=CCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000210623 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.615 CC(=O)N1C[C@@H](C[C@H]1C(=O)CC#N)O 1458a_100011830302_100011214920 [0,2,0,0,0,0|1,0,0]=3 540 B14R1.615 CC(=O)N1C[C@@H](C[C@H]1C(=O)CCF)O 1458a_100011830302_100011217306 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.615 CC(=O)N1C[C@@H](C[C@H]1C(=O)CCO)O 1458a_100011830302_100000211926 [0,2,0,0,0,0|0,0,0]=2 542 B14R1.615 CC(CC#N)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009813641 [0,2,0,0,0,0|1,0,1]=4 543 B14R1.615 CC(CCO)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009893172 [0,2,0,0,0,0|0,0,2]=4 544 B14R1.615 CC=CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210699 [0,2,0,0,0,0|1,0,0]=3 545 B14R1.615 CC=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210699 [0,2,0,0,0,0|2,0,0]=4 546 B14R1.615 CC=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210699 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.615 CC=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210699 [0,2,0,0,0,0|2,0,0]=4 548 B14R1.615 CCCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000211992 [0,2,0,0,0,0|1,0,0]=3 549 B14R1.615 CCCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000211992 [0,2,0,0,0,0|1,0,0]=3 550 B14R1.615 CCCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000211992 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.615 CCCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000211992 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.615 CCCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000211992 [0,2,0,0,0,0|2,0,0]=4 553 B14R1.615 CCCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000211992 [0,2,0,0,0,0|2,0,0]=4 554 B14R1.615 CCCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000210303 [0,2,0,0,0,0|1,0,0]=3 555 B14R1.615 CCCC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000766640 [0,2,0,0,0,0|1,0,1]=4 556 B14R1.615 CCNC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 273464a_100015525214_100020587027 [0,2,0,0,0,0|1,0,0]=3 557 B14R1.615 CCNC(=O)N1C[C@H](C[C@H]1C(=O)N)F 273464a_100015525214_100020614896 [0,2,0,0,0,0|2,0,0]=4 558 B14R1.615 CCNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100015525214_100011830302 [0,2,0,0,0,0|1,0,0]=3 559 B14R1.615 CCOC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100020626377_100015343762 [0,2,0,0,0,0|0,0,0]=2 560 B14R1.615 CCOC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 527a_100020626377_100103153847 [0,2,0,0,0,0|0,0,0]=2 561 B14R1.615 CCOC(=O)[C@@H]1C[C@H](CN1C(C)C)O 2230a_100020626377_100000210206 [0,2,0,0,0,0|1,0,1]=4 562 B14R1.615 CCOC(=O)[C@@H]1C[C@H](CN1C(C)C)O 269982a_100020626377_100000210206 [0,2,0,0,0,0|1,0,1]=4 563 B14R1.615 CNNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 22a_100016993582_100011830302 [0,2,0,0,0,0|1,0,0]=3 564 B14R1.615 COCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210968 [0,2,0,0,0,0|1,0,0]=3 565 B14R1.615 COCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000210968 [0,2,0,0,0,0|1,0,0]=3 566 B14R1.615 COCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210968 [0,2,0,0,0,0|2,0,0]=4 567 B14R1.615 COCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210968 [0,2,0,0,0,0|2,0,0]=4 568 B14R1.615 COCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210968 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.615 COCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000210968 [0,2,0,0,0,0|2,0,0]=4 570 B14R1.615 COCC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000765312 [0,2,0,0,0,0|0,0,2]=4 571 B14R1.615 CSCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000184570 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.615 CSCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000184570 [0,2,0,0,0,0|1,0,0]=3 573 B14R1.615 CSCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000184570 [0,2,0,0,0,0|2,0,0]=4 574 B14R1.615 CSCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000184570 [0,2,0,0,0,0|2,0,0]=4 575 B14R1.615 CSCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000184570 [0,2,0,0,0,0|2,0,0]=4 576 B14R1.615 CSCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000184570 [0,2,0,0,0,0|2,0,0]=4 577 B14R1.615 N#CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100051588842 [0,2,0,0,0,0|1,0,0]=3 578 B14R1.615 N#CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100051588842 [0,2,0,0,0,0|2,0,0]=4 579 B14R1.615 N#CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100051588842 [0,2,0,0,0,0|2,0,0]=4 580 B14R1.615 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CCO)F 240690a_100020614896_100011216618 [0,2,0,0,0,0|2,0,0]=4 581 B14R1.615 NC(=O)[C@@H]1C[C@H](CN1C(=O)C=CBr)O 240690a_100020587027_100016273825 [0,2,0,0,0,0|1,0,1]=4 582 B14R1.615 NC(=O)[C@@H]1C[C@H](CN1C(=O)C=CCl)O 240690a_100020587027_200016279998 [0,2,0,0,0,0|1,0,1]=4 583 B14R1.615 NC(=O)[C@@H]1C[C@H](CN1C(=O)CCO)O 240690a_100020587027_100011216618 [0,2,0,0,0,0|1,0,0]=3 584 B14R1.726 COC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)C)F 40a_100000724535_100000738038 [0,2,0,0,0,0|2,0,0]=4 585 B14R1.726 COC(=O)[C@@H]1C[C@H](CN1C(C)(C)C)O 269982a_100000753705_100000210625 [0,2,0,0,0,0|1,0,1]=4 586 B14R1.726 COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C)O 40a_100000753705_100000738038 [0,2,0,0,0,0|1,0,0]=3 587 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(=O)C)OC 11a_100102420086_100015343762 [0,2,0,0,0,0|0,0,0]=2 588 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(=O)C)OC 1626a_100102420086_100015343762 [0,2,0,0,0,0|0,0,0]=2 589 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(=O)C)OC 240690a_100102420086_100015343762 [0,2,0,0,0,0|0,0,0]=2 590 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(=O)C)OC 527a_100102420086_100103153847 [0,2,0,0,0,0|0,0,0]=2 591 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(C)C)OC 2230a_100102420086_100000210206 [0,2,0,0,0,0|1,0,1]=4 592 B14R1.1602 COC(=O)[C@H]1C[C@@H](CN1C(C)C)OC 269982a_100102420086_100000210206 [0,2,0,0,0,0|1,0,1]=4 593 B14R1.7734 CCC(=O)N1CC(C[C@H]1C(=O)N)(F)F 11a_100015192519_100000210414 [0,2,0,0,0,0|2,0,0]=4 594 B14R1.7734 CCC(=O)N1CC(C[C@H]1C(=O)N)(F)F 1626a_100015192519_100000210414 [0,2,0,0,0,0|2,0,0]=4 595 B14R1.7734 CCC(=O)N1CC(C[C@H]1C(=O)N)(F)F 527a_100015192519_100000210414 [0,2,0,0,0,0|2,0,0]=4 596 B14R1.7734 CNC(=O)N1CC(C[C@H]1C(=O)N)(F)F 273464a_100102657272_100015192519 [0,2,0,0,0,0|2,0,0]=4 597 B14R1.7734 COC(=O)[C@@H]1CC(CN1C(=O)C)(F)F 11a_100016994435_100015343762 [0,2,0,0,0,0|1,0,0]=3 598 B14R1.7734 COC(=O)[C@@H]1CC(CN1C(=O)C)(F)F 1626a_100016994435_100015343762 [0,2,0,0,0,0|1,0,0]=3 599 B14R1.7734 COC(=O)[C@@H]1CC(CN1C(=O)C)(F)F 240690a_100016994435_100015343762 [0,2,0,0,0,0|1,0,0]=3 600 B14R1.7734 NC(=O)[C@@H]1CC(CN1C(=O)CO)(F)F 527a_100015192519_100000210174 [0,2,0,0,0,0|2,0,0]=4 601 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CC)C(=O)OC 11a_100025771018_100000210414 [0,2,0,0,0,0|1,0,1]=4 602 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CC)C(=O)OC 1626a_100025771018_100000210414 [0,2,0,0,0,0|1,0,1]=4 603 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CC)C(=O)OC 240690a_100025771018_100000210414 [0,2,0,0,0,0|1,0,1]=4 604 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CC)C(=O)OC 527a_100025771018_100000210414 [0,2,0,0,0,0|1,0,1]=4 605 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CO)C(=O)OC 240690a_100025771018_100000210174 [0,2,0,0,0,0|1,0,1]=4 606 B14R1.7735 C=C1C[C@H](N(C1)C(=O)CO)C(=O)OC 527a_100025771018_100000210174 [0,2,0,0,0,0|1,0,1]=4 607 B14R1.7735 C=CC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O 240690a_100000753705_200121576911 [0,2,0,0,0,0|0,0,1]=3 608 B14R1.7735 C=CC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 1626a_100000724535_100000185746 [0,2,0,0,0,0|1,0,1]=4 609 B14R1.7735 C=CC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 240690a_100000724535_200121576911 [0,2,0,0,0,0|1,0,1]=4 610 B14R1.7735 C=CC(C)N1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100011215867 [0,2,0,0,0,0|1,0,1]=4 611 B14R1.7735 CCC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O 240690a_100000753705_100000210414 [0,2,0,0,0,0|0,0,0]=2 612 B14R1.7735 CCC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O 527a_100000753705_100000210414 [0,2,0,0,0,0|0,0,0]=2 613 B14R1.7735 CCC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 11a_100000724535_100000210414 [0,2,0,0,0,0|1,0,0]=3 614 B14R1.7735 CCC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 1626a_100000724535_100000210414 [0,2,0,0,0,0|1,0,0]=3 615 B14R1.7735 CCC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 240690a_100000724535_100000210414 [0,2,0,0,0,0|1,0,0]=3 616 B14R1.7735 CCC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 527a_100000724535_100000210414 [0,2,0,0,0,0|1,0,0]=3 617 B14R1.7735 CCC(C)N1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000758301 [0,2,0,0,0,0|1,0,1]=4 618 B14R1.7735 CCC(C)N1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000758301 [0,2,0,0,0,0|1,0,1]=4 619 B14R1.7735 CNC(=O)N1C[C@H](C[C@H]1C(=O)OC)F 273464a_100102657272_100000724535 [0,2,0,0,0,0|1,0,0]=3 620 B14R1.7735 COC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 240690a_100000724535_100000210174 [0,2,0,0,0,0|1,0,0]=3 621 B14R1.7735 COC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 527a_100000724535_100000210174 [0,2,0,0,0,0|1,0,0]=3 622 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 240690a_100000753705_100000210174 [0,2,0,0,0,0|0,0,0]=2 623 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 527a_100000753705_100000210174 [0,2,0,0,0,0|0,0,0]=2 624 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(C)C#N)O 2230a_100000753705_100000184139 [0,2,0,0,0,0|1,0,1]=4 625 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(C)C#N)O 269982a_100000753705_100000703298 [0,2,0,0,0,0|1,0,1]=4 626 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(C)CO)O 2230a_100000753705_100012180447 [0,2,0,0,0,0|0,0,2]=4 627 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1C(C)OC)O 269982a_100000753705_100009879195 [0,2,0,0,0,0|0,0,2]=4 628 B14R1.7735 COC(=O)[C@@H]1C[C@H](CN1[C@H](C)CO)O 269982a_100000753705_100016084084 [0,2,0,0,0,0|0,0,2]=4 629 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,0,1,1,0,0|2,0,0]=4 630 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [0,0,1,1,0,0|2,0,0]=4 631 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [0,0,1,1,0,0|2,0,0]=4 632 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,0,1,1,0,0|2,0,0]=4 633 B12R1.261 CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210206 [0,0,1,1,0,0|1,0,1]=4 634 B12R1.915 CC(C(=O)O)N(CCO)C1CC1 269956a_100011300695_100000211595 [0,0,1,1,0,0|1,0,1]=4 635 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [1,0,0,1,0,0|1,0,0]=3 636 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [1,0,0,1,0,0|1,0,0]=3 637 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [1,0,0,1,0,0|1,0,0]=3 638 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [1,0,0,1,0,0|1,0,0]=3 639 B12R2.4081 CC(=O)N1CC2CC1(C2)CO 240690a_100138436509_100015343762 [1,0,0,1,0,0|1,0,1]=4 640 B12R2.4081 CC(=O)N1CC2CC1(C2)CO 527a_100138436509_100103153847 [1,0,0,1,0,0|1,0,1]=4 641 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [1,0,0,1,0,0|1,0,1]=4 642 B14R2.4684 O=C(O)C1CCC(CN1C2CC2)O 269956a_100000089875_100000211595 [0,0,0,1,0,1|1,0,1]=4 643 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1CC2CC2)O 269956a_100000750407_100000742324 [0,0,0,1,0,1|1,0,1]=4 644 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1CC2CO2)O 269956a_100000750407_102125554688 [0,0,0,1,0,1|0,0,2]=4 645 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1CC2CS2)O 269956a_100000750407_100000031435 [0,0,0,1,0,1|0,1,1]=4 646 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1C[C@@H]2CO2)O 269956a_100000750407_100000745022 [0,0,0,1,0,1|0,0,2]=4 647 B14R2.10743 COC(=O)[C@@H]1C[C@H](CN1C2CC2)O 269982a_100000753705_100000211595 [0,1,0,1,0,0|1,0,1]=4 648 B14R2.20850 O=C(O)[C@@H]1C[C@@H](CN1C2CCC2)O 269956a_100000750407_100000749161 [0,1,0,1,0,0|1,0,1]=4 649 B14R2.20850 O=C(O)[C@@H]1C[C@@H](CN1C2COC2)O 269956a_100000750407_100009818527 [0,1,0,1,0,0|0,0,2]=4 650 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,0,1,0,1,0|2,0,0]=4 651 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,0,1,0,1,0|1,0,0]=3 652 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,0,1,0,1,0|2,0,0]=4 653 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,0,1,0,1,0|2,0,0]=4 654 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,0,1,0,1,0|2,0,0]=4 655 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,0,1,0,1,0|2,0,0]=4 656 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,0,1,0,1,0|1,0,0]=3 657 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,0,1,0,1,0|1,0,0]=3 658 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,0,1,0,1,0|1,0,0]=3 659 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,0,1,0,1,0|2,0,0]=4 660 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,0,1,0,1,0|1,0,0]=3 661 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,0,1,0,1,0|1,0,1]=4 662 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,1,0,1,0|1,0,1]=4 663 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [1,0,0,0,1,0|1,0,0]=3 664 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [1,0,0,0,1,0|1,0,0]=3 665 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [1,0,0,0,1,0|1,0,1]=4 666 B12R0.41 CC(O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100011218427 [0,0,1,0,0,1|2,0,0]=4 667 B12R0.41 C[C@@H](O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100009817552 [0,0,1,0,0,1|2,0,0]=4 668 B12R0.138 CC(O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218427 [0,0,1,0,0,1|2,0,0]=4 669 B12R0.138 C[C@@H](O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009817552 [0,0,1,0,0,1|2,0,0]=4 670 B12R0.53 C=C(C)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000748629 [0,0,1,0,0,1|1,0,0]=3 671 B12R0.53 C=C(F)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000042424 [0,0,1,0,0,1|1,0,1]=4 672 B12R0.53 CC(=O)C(C)N(CCO)CC(=O)O 269956a_100000747938_100009814033 [0,0,1,0,0,1|2,0,0]=4 673 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)N 269956a_100011300695_100000187820 [0,0,1,0,0,1|1,0,0]=3 674 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)[O-] 269956a_100011300695_100020667443 [0,0,1,0,0,1|1,0,0]=3 675 B12R0.53 CC(C(=O)O)N(CCO)C[C@@H](C)O 269956a_100011300695_100009817552 [0,0,1,0,0,1|0,0,2]=4 676 B12R0.53 CC(C(=O)O)N(CCO)C[N+](=O)[O-] 269956a_100011300695_100000761209 [0,0,1,0,0,1|2,0,0]=4 677 B12R0.53 CC(C)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000210760 [0,0,1,0,0,1|1,0,1]=4 678 B12R0.53 CC(O)CN(CCO)C(C)C(=O)O 269956a_100011300695_100011218427 [0,0,1,0,0,1|0,0,2]=4 679 B12R0.400 CCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000750406_100009814033 [0,0,1,0,0,1|2,0,0]=4 680 B12R0.44 CC(=O)COCC(O)COC(=O)C 34a_100000211253_200000139349 [0,0,1,0,0,1|2,0,0]=4 681 B12R0.44 CC(=O)OCC(O)CNCC(=O)O 269956a_100016091260_200000139349 [0,0,1,0,0,1|1,0,0]=3 682 B12R0.44 CC(=O)OCC(O)CSCC(=O)N 62a_100000747473_200000139349 [0,0,1,0,0,1|2,0,0]=4 683 B12R0.44 CC(=O)OCC(O)CSCC(=O)N 62a_200000139349_100000747473 [0,0,1,0,0,1|2,0,0]=4 684 B12R0.44 CC(=O)OCC(O)CSCC(=O)[O-] 62a_100020667443_200000139349 [0,0,1,0,0,1|1,0,1]=4 685 B12R0.44 CC(=O)OCC(O)CSCC(=O)[O-] 62a_200000139349_100020667443 [0,0,1,0,0,1|1,0,1]=4 686 B12R0.44 CC(=O)SCC(C)CNCC(=O)O 269956a_100016091260_200000116872 [0,0,1,0,0,1|2,0,0]=4 687 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 240690a_200012821172_100015343762 [1,0,0,0,0,1|1,0,1]=4 688 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 527a_200012821172_100103153847 [1,0,0,0,0,1|1,0,1]=4 689 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [1,0,0,0,0,1|1,0,1]=4 690 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [1,0,0,0,0,1|0,0,1]=3 691 B12R1.57 O=C(O)C1CCC(CN1CF)O 269956a_100000089875_100015361967 [1,0,0,0,0,1|1,0,1]=4 692 B12R1.65 C=C(C)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000748629 [1,0,0,0,0,1|1,0,1]=4 693 B12R1.65 C=C(C)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000748629 [1,0,0,0,0,1|1,0,1]=4 694 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000747473 [1,0,0,0,0,1|1,0,1]=4 695 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000187820 [1,0,0,0,0,1|1,0,1]=4 696 B12R1.65 O=C([O-])CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100020667443 [1,0,0,0,0,1|1,0,1]=4 697 B12R1.258 CC(=O)C1CCCN(C1)C(=O)C 1458a_100000194941_200000210301 [1,0,0,0,0,1|1,0,0]=3 698 B12R1.258 CC(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200000210301 [1,0,0,0,0,1|2,0,0]=4 699 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 11a_100000195536_100015343762 [1,0,0,0,0,1|1,0,0]=3 700 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_100015343762 [1,0,0,0,0,1|1,0,0]=3 701 B12R1.258 CC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000194941_200025704644 [1,0,0,0,0,1|1,0,0]=3 702 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 240690a_100000740858_100015343762 [1,0,0,0,0,1|1,0,1]=4 703 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 527a_100000740858_100103153847 [1,0,0,0,0,1|1,0,1]=4 704 B12R1.258 CC(=O)N1CCOC(C1)C(=O)N 240690a_100000748043_100015343762 [1,0,0,0,0,1|2,0,0]=4 705 B12R1.258 CC(=O)N1CCOC(C1)C(=O)N 527a_100000748043_100103153847 [1,0,0,0,0,1|2,0,0]=4 706 B12R1.258 [13CH3]C(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200025704644 [1,0,0,0,0,1|2,0,0]=4 707 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000748629 [1,0,0,0,0,1|2,0,0]=4 708 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748629 [1,0,0,0,0,1|1,0,0]=3 709 B12R1.392 C=C(C)CN1CCSC1C(=O)O 269956a_100000035718_100000748629 [1,0,0,0,0,1|2,0,0]=4 710 B12R1.392 C=C(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000748629 [1,0,0,0,0,1|2,0,0]=4 711 B12R1.392 C=C(F)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000042424 [1,0,0,0,0,1|1,0,1]=4 712 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [1,0,0,0,0,1|1,0,1]=4 713 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [1,0,0,0,0,1|0,0,2]=4 714 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [1,0,0,0,0,1|0,0,2]=4 715 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747473 [1,0,0,0,0,1|2,0,0]=4 716 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [1,0,0,0,0,1|1,0,0]=3 717 B12R1.392 NC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000187820 [1,0,0,0,0,1|2,0,0]=4 718 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [1,0,0,0,0,1|2,0,0]=4 719 B12R1.392 O=C(O)[C@@H]1CCCN1C[N+](=O)[O-] 269956a_100000743916_100000761209 [1,0,0,0,0,1|2,0,0]=4 720 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [1,0,0,0,0,1|1,0,0]=3 721 B12R1.392 O=C([O-])CN1CCSC1C(=O)O 269956a_100000035718_100020667443 [1,0,0,0,0,1|2,0,0]=4 722 B12R1.392 O=C([O-])CN1CSC[C@H]1C(=O)O 269956a_100000743924_100020667443 [1,0,0,0,0,1|2,0,0]=4 723 B14R1.164 C=C(C)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000748629 [0,0,0,0,0,2|1,0,0]=3 724 B14R1.164 C=C(F)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000042424 [0,0,0,0,0,2|1,0,1]=4 725 B14R1.164 CC(C)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210760 [0,0,0,0,0,2|1,0,1]=4 726 B14R1.164 CC(O)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100011218427 [0,0,0,0,0,2|0,0,2]=4 727 B14R1.164 C[C@@H](O)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100009817552 [0,0,0,0,0,2|0,0,2]=4 728 B14R1.164 NC(=O)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000187820 [0,0,0,0,0,2|1,0,0]=3 729 B14R1.164 O=C(O)C1CCC(CN1C[N+](=O)[O-])O 269956a_100000089875_100000761209 [0,0,0,0,0,2|2,0,0]=4 730 B14R1.164 O=C([O-])CN1CC(CCC1C(=O)O)O 269956a_100000089875_100020667443 [0,0,0,0,0,2|1,0,0]=3 731 B14R1.6074 C=C(C)CN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000748629 [0,0,0,0,0,2|2,0,0]=4 732 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)CC(=O)N 269956a_100009817619_100000187820 [0,0,0,0,0,2|2,0,0]=4 733 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)CC(=O)[O-] 269956a_100009817619_100020667443 [0,0,0,0,0,2|2,0,0]=4 734 B14R1.4349 C=C(C)CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000730704 [0,0,0,0,0,2|2,0,0]=4 735 B14R1.4349 C=C(C)CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000730704 [0,0,0,0,0,2|2,0,0]=4 736 B14R1.4349 C=C(C)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000730704 [0,0,0,0,0,2|2,0,0]=4 737 B14R1.4349 C=C(C)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000730704 [0,0,0,0,0,2|1,0,0]=3 738 B14R1.4349 CC(=CCN1C[C@@H](C[C@H]1C(=O)N)O)C 2230a_100020587027_100000761012 [0,0,0,0,0,2|2,0,0]=4 739 B14R1.4349 CC(=CCN1C[C@@H](C[C@H]1C(=O)N)O)C 269982a_100020587027_100000761012 [0,0,0,0,0,2|2,0,0]=4 740 B14R1.4349 CC(=CCN1C[C@H](C[C@H]1C(=O)O)F)C 269956a_100016993324_100000761012 [0,0,0,0,0,2|2,0,0]=4 741 B14R1.4349 CC(=CCN1C[C@H](C[C@H]1C(=O)O)O)C 269956a_100000750407_100000761012 [0,0,0,0,0,2|1,0,0]=3 742 B14R1.4349 CC(=O)CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000053229 [0,0,0,0,0,2|1,0,0]=3 743 B14R1.4349 CC(=O)CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000053229 [0,0,0,0,0,2|2,0,0]=4 744 B14R1.4349 CC(=O)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000053229 [0,0,0,0,0,2|1,0,0]=3 745 B14R1.4349 CC(=O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000053229 [0,0,0,0,0,2|0,0,0]=2 746 B14R1.4349 CC(=O)OCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000076356 [0,0,0,0,0,2|1,0,0]=3 747 B14R1.4349 CC(=O)OCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000076356 [0,0,0,0,0,2|2,0,0]=4 748 B14R1.4349 CC(=O)OCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100009813279 [0,0,0,0,0,2|2,0,0]=4 749 B14R1.4349 CC(=O)OCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000076356 [0,0,0,0,0,2|1,0,0]=3 750 B14R1.4349 CC(=O)OCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000076356 [0,0,0,0,0,2|0,0,0]=2 751 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210312 [0,0,0,0,0,2|1,0,1]=4 752 B14R1.4349 CC(C)OCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000709892 [0,0,0,0,0,2|1,0,1]=4 753 B14R1.4349 CC(O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100012276601 [0,0,0,0,0,2|0,0,2]=4 754 B14R1.4349 CN(C)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000755713 [0,0,0,0,0,2|2,0,0]=4 755 B14R1.4349 NC(=O)CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000744528 [0,0,0,0,0,2|2,0,0]=4 756 B14R1.4349 NC(=O)CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000744528 [0,0,0,0,0,2|2,0,0]=4 757 B14R1.4349 NC(=O)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000744528 [0,0,0,0,0,2|2,0,0]=4 758 B14R1.4349 NC(=O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000744528 [0,0,0,0,0,2|1,0,0]=3