0 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200000210301 [0,1,0,0,0,0|0,0,0]=1 5 B14R2.450 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200025704644 [0,1,0,0,0,0|0,0,0]=1 6 B14R2.972 C=CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000185746 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.972 C=CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_200121576911 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.972 CCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000210414 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.972 CCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000210414 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.972 CCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000210414 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.972 CCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000210414 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.972 CNC(=O)N1C[C@H]2CCCC[C@H]2C1 2708a_100102657272_100015204113 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.972 CNC(=O)N1C[C@H]2CCCC[C@H]2C1 273464a_100102657272_100015204113 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.972 O=C(CO)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000210174 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.972 O=C(CO)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000210174 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.43 C=C(C)C(C)NC1CCCCC1 269862a_100000182618_100011216138 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.43 C=C(C)C(C)NC1CCCOC1 269862a_100000719290_100011216138 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.43 C=C(C)C(C)NC1CCOCC1 269862a_100000741149_100011216138 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.43 C=C(C)C(C)NC1CCSCC1 269862a_100000748639_100011216138 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000070787_100009831500 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000740234_200000210301 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,0,1,0,0,0|1,0,0]=2 25 B12R1.43 CC(=O)C(C)NC1CCCOC1 2230a_100000719290_100009814033 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.43 CC(=O)C(C)NC1CCOCC1 2230a_100000741149_100009814033 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.43 CC(=O)C(C)NC1CCSCC1 2230a_100000748639_100009814033 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.43 CC(=O)C(C)OC1CCCOC1 34a_100000212229_100000693364 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.43 CC(=O)C(C)OC1CCCSC1 7a_100015962668_100000179758 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.43 CC(=O)C(C)OC1CCSCC1 34a_100000212229_100000069128 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.43 CC(=O)C(C)OC1CCSCC1 7a_100000731022_100000179758 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.43 CC(=O)C(C)SC1CCCOC1 62a_100009814033_100000693364 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.43 CC(=O)C(C)SC1CCOCC1 62a_100009814033_100011324220 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.43 CC(=O)C(C)SC1CCSCC1 62a_100009814033_100000069128 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,0,1,0,0,0|2,0,0]=3 44 B12R1.43 CC(C)C(C)NC1CCCCC1 270004a_100000211541_100000210434 [0,0,1,0,0,0|2,0,1]=4 45 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.43 CC(CN1CCCCC1)C(=O)[13CH3] 1458a_100000740234_200025704644 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.43 CC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702099 [0,0,1,0,0,0|1,0,0]=2 48 B12R1.43 CC(NC1CCCCC1)C(=O)N 34a_100000182618_100000702099 [0,0,1,0,0,0|1,0,0]=2 49 B12R1.43 CC(NC1CCCOC1)C(=O)N 2230a_100000719290_100000702099 [0,0,1,0,0,0|2,0,0]=3 50 B12R1.43 CC(NC1CCCOC1)C(=O)N 34a_100000719290_100000702099 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.43 CC(NC1CCOCC1)C(=O)N 2230a_100000741149_100000702099 [0,0,1,0,0,0|2,0,0]=3 52 B12R1.43 CC(NC1CCOCC1)C(=O)N 34a_100000741149_100000702099 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.43 CC(NC1CCSCC1)C(=O)N 2230a_100000748639_100000702099 [0,0,1,0,0,0|2,0,0]=3 54 B12R1.43 CC(NC1CCSCC1)C(=O)N 34a_100000748639_100000702099 [0,0,1,0,0,0|2,0,0]=3 55 B12R1.43 CC(OC1CCCCC1)C(=O)N 34a_100000210231_100000702099 [0,0,1,0,0,0|2,0,0]=3 56 B12R1.43 CC(OC1CCCCC1)C(=O)N 7a_100000210231_100000702099 [0,0,1,0,0,0|2,0,0]=3 57 B12R1.43 CC(OC1CCCCO1)C(=O)N 34a_100000033831_100000702099 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.43 CC(OC1CCCOC1)C(=O)N 34a_100000754041_100000702099 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.43 CC(OC1CCCSC1)C(=O)N 7a_100015962668_100000702099 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.43 CC(OC1CCOCC1)C(=O)N 34a_100000744328_100000702099 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.43 CC(OC1CCSCC1)C(=O)N 34a_100000731022_100000702099 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.43 CC(OC1CCSCC1)C(=O)N 7a_100000731022_100000702099 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000210327_100000702099 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000702099_100000210327 [0,0,1,0,0,0|2,0,0]=3 65 B12R1.43 CC(SC1CCCOC1)C(=O)N 62a_100000702099_100000693364 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.43 CC(SC1CCOCC1)C(=O)N 62a_100000702099_100011324220 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.43 CC(SC1CCSCC1)C(=O)N 62a_100000702099_100000069128 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.43 C[C@@H](NC1C=CCCC1)C(=O)N 2230a_100000119354_100000751183 [0,0,1,0,0,0|1,0,2]=4 69 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 270004a_100000119354_100000210434 [0,0,1,0,0,0|1,0,0]=2 70 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 34a_100000119354_100000210327 [0,0,1,0,0,0|1,0,0]=2 71 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 270004a_100000119354_100000753404 [0,0,1,0,0,0|2,0,0]=3 72 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 34a_100000119354_100000693364 [0,0,1,0,0,0|2,0,0]=3 73 B12R1.43 C[C@@H](NC1CCCSC1)C(=O)N 270004a_100000119354_100000057913 [0,0,1,0,0,0|2,0,0]=3 74 B12R1.43 C[C@@H](NC1CCNCC1)C(=O)N 270004a_100000119354_100015192401 [0,0,1,0,0,0|2,0,0]=3 75 B12R1.43 C[C@@H](NC1CCOCC1)C(=O)N 270004a_100000119354_100011217826 [0,0,1,0,0,0|2,0,0]=3 76 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 270004a_100000119354_100000203788 [0,0,1,0,0,0|2,0,0]=3 77 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 34a_100000119354_100000069128 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 34a_100000731257_100000210327 [0,0,1,0,0,0|2,0,0]=3 79 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 7a_100000731257_100000210327 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 34a_100000731257_100000693364 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 7a_100000731257_100000693364 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)N 7a_100000731257_100000686592 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 34a_100000731257_100000069128 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 7a_100000731257_100011500858 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.43 C[C@H](NC1C=CCCC1)C(=O)O 269956a_100000743915_100000751183 [0,0,1,0,0,0|0,0,2]=3 86 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,0,1,0,0,0|0,0,0]=1 87 B12R1.43 C[C@H](NC1CCCOC1)C(=O)O 269956a_100000743915_100000693364 [0,0,1,0,0,0|1,0,0]=2 88 B12R1.43 C[C@H](NC1CCOCC1)C(=O)O 269956a_100000743915_100011324220 [0,0,1,0,0,0|1,0,0]=2 89 B12R1.43 C[C@H](NC1CCSCC1)C(=O)O 269956a_100000743915_100000069128 [0,0,1,0,0,0|1,0,0]=2 90 B12R1.43 C[C@H](OC1CCCCC1)C(=O)[O-] 7a_217856618621_100000210327 [0,0,1,0,0,0|1,0,1]=3 91 B12R1.43 C[C@H](OC1CCCOC1)C(=O)[O-] 7a_217856618621_100000693364 [0,0,1,0,0,0|2,0,1]=4 92 B12R1.43 C[C@H](OC1CCOCC1)C(=O)[O-] 7a_217856618621_100000686592 [0,0,1,0,0,0|2,0,1]=4 93 B12R1.43 C[C@H](OC1CCSCC1)C(=O)[O-] 7a_217856618621_100011500858 [0,0,1,0,0,0|2,0,1]=4 94 B12R1.43 NC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011215815 [0,0,1,0,0,0|2,0,1]=4 95 B12R1.43 NC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813875 [0,0,1,0,0,0|2,0,0]=3 96 B12R1.43 NC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813875 [0,0,1,0,0,0|2,0,0]=3 97 B12R1.43 NC(=O)C(F)NC1CCCOC1 2230a_100000719290_100009813875 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.43 NC(=O)C(F)NC1CCCOC1 34a_100000719290_100009813875 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.43 NC(=O)C(F)NC1CCOCC1 2230a_100000741149_100009813875 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.43 NC(=O)C(F)NC1CCOCC1 34a_100000741149_100009813875 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.43 NC(=O)C(F)NC1CCSCC1 2230a_100000748639_100009813875 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.43 NC(=O)C(F)NC1CCSCC1 34a_100000748639_100009813875 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.43 NC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813875 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.43 NC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813875 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813875 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100009813875_100000210327 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.43 O=C([O-])C(F)NC1CCCCC1 34a_100000182618_100020610796 [0,0,1,0,0,0|1,0,1]=3 108 B12R1.43 O=C([O-])C(F)NC1CCCOC1 34a_100000719290_100020610796 [0,0,1,0,0,0|2,0,1]=4 109 B12R1.43 O=C([O-])C(F)NC1CCOCC1 34a_100000741149_100020610796 [0,0,1,0,0,0|2,0,1]=4 110 B12R1.43 O=C([O-])C(F)NC1CCSCC1 34a_100000748639_100020610796 [0,0,1,0,0,0|2,0,1]=4 111 B12R1.43 O=C([O-])C(F)OC1CCCCC1 34a_100000210231_100020610796 [0,0,1,0,0,0|2,0,1]=4 112 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100000210327_100020610796 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100020610796_100000210327 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,0,1,0,0,0|2,0,0]=3 116 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000748629 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000748629 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748629 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,0,1,0,0,0|2,0,0]=3 124 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009893438 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009893438 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,0,1,0,0,0|3,0,0]=4 128 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009893438 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,1,0,0,0|2,0,0]=3 134 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.125 CC(C)CNC1CCCCC1C 2230a_100000211402_100000210760 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.125 CC(C)CNC1CCCCC1C 269862a_100000210953_100000210921 [0,0,1,0,0,0|2,0,1]=4 140 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000210953_100000210921 [0,0,1,0,0,0|2,0,1]=4 141 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000211402_100000210432 [0,0,1,0,0,0|2,0,1]=4 142 B12R1.125 CC(C)CNC1CCCCC1C 34a_100000211402_100000210624 [0,0,1,0,0,0|2,0,1]=4 143 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,0,1,0,0,0|1,0,1]=3 144 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,0,1,0,0,0|1,0,1]=3 145 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,0,1,0,0,0|1,0,1]=3 146 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,0,1,0,0,0|1,0,1]=3 147 B12R1.125 CC(O)CNC1CCCCC1F 34a_100000210904_100015423560 [0,0,1,0,0,0|2,0,1]=4 148 B12R1.125 CC(O)CNC1CCCCC1O 34a_100000210904_100000038908 [0,0,1,0,0,0|2,0,1]=4 149 B12R1.125 CC(O)CNC1CCNCC1C 270004a_100000210904_100000703950 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.125 CC(O)CNC1CCOCC1C 270004a_100000210904_100000755695 [0,0,1,0,0,0|2,0,1]=4 151 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218427 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218427 [0,0,1,0,0,0|2,0,1]=4 153 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,0,1,0,0,0|2,0,1]=4 154 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,0,1,0,0,0|2,0,1]=4 155 B12R1.125 CC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218427 [0,0,1,0,0,0|2,0,1]=4 156 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,1,0,0,0|1,0,0]=2 157 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,1,0,0,0|1,0,0]=2 158 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,1,0,0,0|0,0,1]=2 159 B12R1.125 CC1CCCCC1NCC(F)F 2230a_100000211402_100011934356 [0,0,1,0,0,0|2,0,1]=4 160 B12R1.125 CC1CCCCC1NCC(F)F 270004a_100000765723_100000210921 [0,0,1,0,0,0|2,0,1]=4 161 B12R1.125 CC1CCCCC1NCC(F)F 34a_100000211402_100011934356 [0,0,1,0,0,0|2,0,1]=4 162 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,0,1,0,0,0|1,0,1]=3 163 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,0,1,0,0,0|1,0,1]=3 164 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,0,1,0,0,0|1,0,1]=3 165 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,1,0,0,0|2,0,0]=3 166 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,1,0,0,0|2,0,0]=3 167 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,1,0,0,0|2,0,0]=3 168 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,1,0,0,0|1,0,1]=3 169 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,0,1,0,0,0|2,0,1]=4 170 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,0,1,0,0,0|2,0,1]=4 171 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,0,1,0,0,0|2,0,1]=4 172 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,1,0,0,0|3,0,0]=4 173 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,1,0,0,0|3,0,0]=4 175 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,0,1,0,0,0|3,0,0]=4 176 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,0,1,0,0,0|2,0,1]=4 177 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,0,1,0,0,0|3,0,0]=4 178 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,0,1,0,0,0|2,0,1]=4 179 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,1,0,0,0|2,0,0]=3 180 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817552 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817552 [0,0,1,0,0,0|2,0,1]=4 183 B12R1.125 C[C@@H](O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817552 [0,0,1,0,0,0|2,0,1]=4 184 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,0,1,0,0,0|2,0,0]=3 185 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,0,1,0,0,0|2,0,0]=3 186 B12R1.125 NC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000747473 [0,0,1,0,0,0|3,0,0]=4 187 B12R1.125 NC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000747473 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.125 NC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000187820 [0,0,1,0,0,0|3,0,0]=4 189 B12R1.125 NC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000747473 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,0,1,0,0,0|3,0,0]=4 191 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,0,1,0,0,0|3,0,0]=4 192 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,0,1,0,0,0|3,0,0]=4 193 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,0,1,0,0,0|3,0,0]=4 194 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,0,1,0,0,0|2,0,0]=3 195 B12R1.125 NC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000187820 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.125 NC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000187820 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,0,1,0,0,0|3,0,0]=4 198 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,0,1,0,0,0|3,0,0]=4 199 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,0,1,0,0,0|3,0,0]=4 201 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,0,1,0,0,0|1,0,1]=3 202 B12R1.125 N[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] 34a_100015191688_100000761209 [0,0,1,0,0,0|2,0,1]=4 203 B12R1.125 N[C@@H]1CCOC[C@@H]1OCC(=O)[O-] 34a_100016994285_100020667443 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.125 N[C@H]1COCC[C@@H]1OCC(=O)[O-] 34a_100015739063_100020667443 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,1,0,0,0|1,0,1]=3 206 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,1,0,0,0|1,0,0]=2 207 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,1,0,0,0|1,0,0]=2 208 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,0,1,0,0,0|2,0,1]=4 210 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,0,1,0,0,0|1,0,1]=3 211 B12R1.125 O=C([O-])CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100020667443 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,0,1,0,0,0|2,0,1]=4 217 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,0,1,0,0,0|2,0,1]=4 218 B12R1.125 O=[N+]([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000761209 [0,0,1,0,0,0|2,0,1]=4 219 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,1,0,0,0|2,0,0]=3 220 B12R1.337 CCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210211 [0,0,1,0,0,0|3,0,0]=4 221 B12R1.337 CCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210211 [0,0,1,0,0,0|3,0,0]=4 222 B12R1.337 CCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210210 [0,0,1,0,0,0|3,0,0]=4 223 B12R1.337 CCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210207 [0,0,1,0,0,0|2,0,1]=4 224 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.337 COCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000766300 [0,0,1,0,0,0|3,0,0]=4 226 B12R1.337 CSCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218213 [0,0,1,0,0,0|3,0,0]=4 227 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCF 269956a_100015195206_100011217306 [0,0,1,0,0,0|3,0,0]=4 228 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCO 269956a_100015195206_100000211926 [0,0,1,0,0,0|3,0,0]=4 229 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,1,0,0,0|3,0,0]=4 230 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,1,0,0,0|3,0,0]=4 232 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,1,0,0,0|3,0,0]=4 233 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,0,0,0,1,0|3,0,0]=4 234 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,0,0,0,1,0|3,0,0]=4 235 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000747473 [0,0,0,0,0,1|3,0,0]=4 236 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000187820 [0,0,0,0,0,1|3,0,0]=4 237 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000187820 [0,0,0,0,0,1|3,0,0]=4 238 B14R2.768 O=C([O-])CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100020667443 [0,0,0,0,0,1|2,0,1]=4 239 B14R2.768 O=C([O-])CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100020667443 [0,0,0,0,0,1|2,0,1]=4 240 B14R2.781 CC(=O)N1CCC2CCCCC2C1 11a_100000211783_100015343762 [0,0,0,0,0,1|3,0,0]=4 241 B14R2.781 CC(=O)N1CCC2CCCCC2C1 1626a_100000211783_100015343762 [0,0,0,0,0,1|3,0,0]=4 242 B14R2.781 CC(=O)N1CCC2CCCCC2C1 240690a_100000211783_100015343762 [0,0,0,0,0,1|3,0,0]=4 243 B14R2.781 CC(=O)N1CCC2CCCCC2C1 527a_100000211783_100103153847 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.40 C#CC(C)NC1CCCCC1 270004a_100000707721_100000210434 [1,0,1,0,0,0|1,0,1]=4 245 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000182618_200000035995 [1,0,1,0,0,0|1,0,1]=4 246 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000707721_100000210327 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.40 CC(C#N)NC1CCCCC1 2230a_100000182618_100000184139 [1,0,1,0,0,0|1,0,1]=4 250 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [1,0,1,0,0,0|0,0,1]=3 251 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [1,0,1,0,0,0|0,0,1]=3 252 B11R1.40 CC(CO)NC1CCCOC1 2230a_100000719290_100012180447 [1,0,1,0,0,0|1,0,1]=4 253 B11R1.40 CC(CO)NC1CCCOC1 34a_100000719290_100012180447 [1,0,1,0,0,0|1,0,1]=4 254 B11R1.40 CC(CO)NC1CCOCC1 2230a_100000741149_100012180447 [1,0,1,0,0,0|1,0,1]=4 255 B11R1.40 CC(CO)NC1CCOCC1 34a_100000741149_100012180447 [1,0,1,0,0,0|1,0,1]=4 256 B11R1.40 CC(CO)NC1CCSCC1 2230a_100000748639_100012180447 [1,0,1,0,0,0|1,0,1]=4 257 B11R1.40 CC(CO)NC1CCSCC1 34a_100000748639_100012180447 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [1,0,1,0,0,0|1,0,1]=4 260 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [1,0,1,0,0,0|1,0,1]=4 261 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [1,0,1,0,0,0|1,0,1]=4 262 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [1,0,1,0,0,0|1,0,1]=4 263 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [1,0,1,0,0,0|1,0,1]=4 264 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [1,0,1,0,0,0|1,0,1]=4 265 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [1,0,1,0,0,0|0,0,1]=3 266 B11R1.40 C[C@H](CO)NC1CCCOC1 270004a_100000737577_100000753404 [1,0,1,0,0,0|1,0,1]=4 267 B11R1.40 C[C@H](CO)NC1CCCSC1 270004a_100000737577_100000057913 [1,0,1,0,0,0|1,0,1]=4 268 B11R1.40 C[C@H](CO)NC1CCNCC1 270004a_100000737577_100015192401 [1,0,1,0,0,0|1,0,1]=4 269 B11R1.40 C[C@H](CO)NC1CCOCC1 270004a_100000737577_100011217826 [1,0,1,0,0,0|1,0,1]=4 270 B11R1.40 C[C@H](CO)NC1CCSCC1 270004a_100000737577_100000203788 [1,0,1,0,0,0|1,0,1]=4 271 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [1,0,1,0,0,0|1,0,1]=4 272 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [1,0,1,0,0,0|1,0,1]=4 273 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,1,0,0,0|1,0,0]=3 278 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,1,0,0,0|1,0,0]=3 279 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,1,0,0,0|2,0,0]=4 281 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,1,0,0,0|2,0,0]=4 282 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,1,0,0,0|2,0,0]=4 286 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,1,0,0,0|2,0,0]=4 288 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,1,0,0,0|2,0,0]=4 289 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,1,0,0,0|2,0,0]=4 290 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [1,0,1,0,0,0|1,0,1]=4 291 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [1,0,1,0,0,0|1,0,1]=4 292 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [1,0,1,0,0,0|1,0,1]=4 293 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [1,0,1,0,0,0|1,0,1]=4 294 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [1,0,1,0,0,0|1,0,1]=4 295 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [1,0,1,0,0,0|1,0,1]=4 296 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,1,0,0,0|1,0,0]=3 297 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,1,0,0,0|1,0,0]=3 298 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [1,0,1,0,0,0|2,0,0]=4 300 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [1,0,1,0,0,0|2,0,0]=4 301 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [1,0,1,0,0,0|2,0,0]=4 302 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [1,0,1,0,0,0|2,0,0]=4 303 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [1,0,1,0,0,0|2,0,0]=4 304 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,1,0,0,0|2,0,0]=4 305 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,1,0,0,0|2,0,0]=4 306 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,1,0,0,0|2,0,0]=4 307 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,1,0,0,0|2,0,0]=4 308 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [1,0,1,0,0,0|0,0,2]=4 309 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,1,0,0,0|0,0,0]=2 310 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,1,0,0,0|1,0,0]=3 311 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,1,0,0,0|1,0,0]=3 312 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,1,0,0,0|1,0,0]=3 313 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,1,0,0,0|0,0,1]=3 314 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [1,0,1,0,0,0|1,0,1]=4 315 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [1,0,1,0,0,0|1,0,1]=4 316 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [1,0,1,0,0,0|1,0,1]=4 317 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,1,0,0,0|1,0,1]=4 318 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,1,0,0,0|1,0,1]=4 319 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,1,0,0,0|1,0,1]=4 320 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [1,0,1,0,0,0|1,0,1]=4 321 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,1,0,0,0|1,0,0]=3 322 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,1,0,0,0|2,0,0]=4 323 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,1,0,0,0|2,0,0]=4 324 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [1,0,1,0,0,0|1,0,1]=4 325 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [1,0,1,0,0,0|1,0,1]=4 326 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,1,0,0,0|1,0,0]=3 327 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,1,0,0,0|1,0,0]=3 328 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,1,0,0,0|1,0,0]=3 329 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [1,0,1,0,0,0|2,0,0]=4 330 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [1,0,1,0,0,0|2,0,0]=4 331 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [1,0,1,0,0,0|2,0,0]=4 332 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [1,0,1,0,0,0|2,0,0]=4 333 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,1,0,0,0|2,0,0]=4 334 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,1,0,0,0|2,0,0]=4 335 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [1,0,1,0,0,0|2,0,0]=4 336 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [1,0,1,0,0,0|1,0,1]=4 337 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,1,0,0,0|0,0,0]=2 338 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,1,0,0,0|0,0,0]=2 339 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [1,0,1,0,0,0|1,0,1]=4 340 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [1,0,1,0,0,0|1,0,1]=4 341 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [1,0,1,0,0,0|1,0,1]=4 342 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,1,0,0,0|0,0,1]=3 343 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,1,0,0,0|0,0,1]=3 344 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,1,0,0,0|0,0,1]=3 345 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,1,0,0,0|0,0,1]=3 346 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,1,0,0,0|1,0,0]=3 347 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,1,0,0,0|1,0,0]=3 348 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,1,0,0,0|1,0,1]=4 349 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,1,0,0,0|1,0,1]=4 350 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,0,1,0,0,0|2,0,0]=4 351 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [1,0,1,0,0,0|1,0,1]=4 352 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,0,1,0,0,0|2,0,0]=4 353 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [1,0,1,0,0,0|1,0,1]=4 354 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,1,0,0,0|1,0,1]=4 355 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,1,0,0,0|1,0,1]=4 356 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,1,0,0,0|1,0,1]=4 357 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,1,0,0,0|1,0,1]=4 358 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [1,0,1,0,0,0|2,0,0]=4 359 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [1,0,1,0,0,0|2,0,0]=4 360 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [1,0,1,0,0,0|2,0,0]=4 361 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,1,0,0,0|1,0,0]=3 362 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [1,0,1,0,0,0|1,0,1]=4 363 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [1,0,1,0,0,0|2,0,0]=4 364 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [1,0,1,0,0,0|2,0,0]=4 365 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,1,0,0,0|1,0,0]=3 366 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,1,0,0,0|1,0,0]=3 367 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [1,0,1,0,0,0|2,0,0]=4 368 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [1,0,1,0,0,0|2,0,0]=4 369 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [1,0,1,0,0,0|2,0,0]=4 370 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [1,0,1,0,0,0|2,0,0]=4 371 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,1,0,0,0|2,0,0]=4 372 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,1,0,0,0|2,0,0]=4 373 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,1,0,0,0|2,0,0]=4 374 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,1,0,0,0|2,0,0]=4 375 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,1,0,0,0|2,0,0]=4 376 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,1,0,0,0|2,0,0]=4 377 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,1,0,0,0|2,0,0]=4 378 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,1,0,0,0|2,0,0]=4 379 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [1,0,1,0,0,0|1,0,1]=4 380 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [1,0,1,0,0,0|1,0,1]=4 381 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [1,0,1,0,0,0|1,0,1]=4 382 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [1,0,1,0,0,0|1,0,1]=4 383 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [1,0,1,0,0,0|2,0,0]=4 384 B13R1.133 C=C(C)C(C)N[C@H]1CC[C@@H](CC1)C 269862a_100020625639_100011216138 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.133 C=C(C)C(C)N[C@H]1CC[C@H](CC1)O 269862a_100020628982_100011216138 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.133 C=C1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100010272673 [0,1,1,0,0,0|1,0,1]=4 387 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009814033 [0,1,1,0,0,0|1,0,0]=3 388 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 34a_100000212229_200011216234 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 7a_100000210714_100000179758 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.133 CC(=O)C(C)SC1CCC(CC1)C 62a_100009814033_200011216234 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 2230a_100020625639_100000702099 [0,1,1,0,0,0|1,0,0]=3 392 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 34a_100020625639_100000702099 [0,1,1,0,0,0|1,0,0]=3 393 B13R1.133 CC(O[C@H]1CC[C@H](CC1)N)C(=O)N 34a_100020628982_100000702099 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)O 269956a_100000743915_200011216234 [0,1,1,0,0,0|0,0,0]=2 395 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100000185489 [0,1,1,0,0,0|1,0,0]=3 396 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 34a_100000119354_200011216234 [0,1,1,0,0,0|1,0,0]=3 397 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 34a_100000210714_100000702099 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 7a_100000210714_100000702099 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)N 34a_100000731257_200011216234 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.133 CC1CCC(CC1)SC(C)C(=O)N 62a_100000702099_200011216234 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.133 C[C@@H](NC1CCC(CC1)O)C(=O)N 270004a_100000119354_100000764474 [0,1,1,0,0,0|1,0,0]=3 402 B13R1.133 C[C@@H](NC1CCN(CC1)C)C(=O)N 270004a_100000119354_100000210137 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.133 C[C@H](NC1CCN(CC1)C)C(=O)O 269956a_100000743915_100011215917 [0,1,1,0,0,0|1,0,0]=3 404 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 2230a_100020625639_100009813875 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 34a_100020625639_100009813875 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)[O-] 34a_100020625639_100020610796 [0,1,1,0,0,0|1,0,1]=4 407 B13R1.135 C/C=C(\C)/C(C)NC1CCCCC1 269862a_100000182618_100020675665 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.135 CC(CC1CCCCC1)C(=O)CF 1458a_200011416370_100015361967 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.135 CC(CN1CCCCC1)C(=O)CO 1458a_100000210174_100009831500 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.135 CC(OC1CCCCC1)C(=O)NN 34a_100000725659_100000210327 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.135 CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210202 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.135 CCC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000742827 [0,1,1,0,0,0|1,0,0]=3 413 B13R1.135 CCC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000742827 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.135 CCC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000742827 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.135 CCC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000742827 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.135 CCC(=O)C(C)OC1CCCCC1 7a_100000210231_100000742827 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000210327_100000742827 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000742827_100000210327 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.135 CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210202 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.135 CN(CC1CCCCC1)C(=O)CO 240690a_100000736448_100000210174 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.135 CN(CC1CCCCC1)C(=O)CO 527a_100000736448_100000210174 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.135 CNC(=O)C(C)CC1CCCCC1 11a_106832991635_200011416370 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.135 CNC(=O)C(C)CC1CCCCC1 1626a_100102657272_200011416370 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.135 CNC(=O)C(C)CC1CCCCC1 240690a_100102657272_200011416370 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.135 CNC(=O)C(C)CC1CCCCC1 527a_100102657272_200011416370 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.135 CNC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000731044 [0,1,1,0,0,0|1,0,0]=3 427 B13R1.135 CNC(=O)C(C)NC1CCCCC1 34a_100000182618_100000731044 [0,1,1,0,0,0|1,0,0]=3 428 B13R1.135 CNC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000731044 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.135 CNC(=O)C(C)NC1CCCOC1 34a_100000719290_100000731044 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.135 CNC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000731044 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.135 CNC(=O)C(C)NC1CCOCC1 34a_100000741149_100000731044 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.135 CNC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000731044 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.135 CNC(=O)C(C)NC1CCSCC1 34a_100000748639_100000731044 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.135 CNC(=O)C(C)OC1CCCCC1 34a_100000210231_100000731044 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.135 CNC(=O)C(C)OC1CCCCC1 7a_100000210231_100000209862 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000209862_100000210327 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000210327_100000731044 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.135 CNC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813575 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.135 CNC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813575 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.135 CNC(=O)[C@@H](C)NC1CCCCC1 34a_100000684985_100000210327 [0,1,1,0,0,0|1,0,0]=3 441 B13R1.135 CNC(=O)[C@@H](C)NC1CCCOC1 34a_100000684985_100000693364 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.135 CNC(=O)[C@@H](C)NC1CCSCC1 34a_100000684985_100000069128 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 240690a_100102657272_100016183741 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 527a_100102657272_100016183741 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.135 COC(=O)C(=O)NC1CCCCC1 11a_100000182618_100000024059 [0,1,1,0,0,0|1,0,1]=4 446 B13R1.135 COC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100000024059 [0,1,1,0,0,0|1,0,1]=4 447 B13R1.135 COC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100000024059 [0,1,1,0,0,0|1,0,1]=4 448 B13R1.135 COC(=O)C(=O)NC1CCCCC1 527a_100000182618_100000024059 [0,1,1,0,0,0|1,0,1]=4 449 B13R1.135 COC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000211248 [0,1,1,0,0,0|0,0,0]=2 450 B13R1.135 COC(=O)C(C)NC1CCCCC1 34a_100000182618_100000211248 [0,1,1,0,0,0|0,0,0]=2 451 B13R1.135 COC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000211248 [0,1,1,0,0,0|1,0,0]=3 452 B13R1.135 COC(=O)C(C)NC1CCCOC1 34a_100000719290_100000211248 [0,1,1,0,0,0|1,0,0]=3 453 B13R1.135 COC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000211248 [0,1,1,0,0,0|1,0,0]=3 454 B13R1.135 COC(=O)C(C)NC1CCOCC1 34a_100000741149_100000211248 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.135 COC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000211248 [0,1,1,0,0,0|1,0,0]=3 456 B13R1.135 COC(=O)C(C)NC1CCSCC1 34a_100000748639_100000211248 [0,1,1,0,0,0|1,0,0]=3 457 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100000210231_100000211248 [0,1,1,0,0,0|1,0,0]=3 458 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100011215400_100000210327 [0,1,1,0,0,0|1,0,0]=3 459 B13R1.135 COC(=O)C(C)OC1CCCCC1 7a_100000210231_100000211248 [0,1,1,0,0,0|1,0,0]=3 460 B13R1.135 COC(=O)C(C)OC1CCCCO1 34a_100000033831_100000211248 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100000754041_100000211248 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100011215400_100000693364 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.135 COC(=O)C(C)OC1CCCSC1 7a_100015962668_100000211248 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.135 COC(=O)C(C)OC1CCOCC1 34a_100000744328_100000211248 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100000731022_100000211248 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100011215400_100000069128 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.135 COC(=O)C(C)OC1CCSCC1 7a_100000731022_100000211248 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000210327_100000211248 [0,1,1,0,0,0|1,0,0]=3 469 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000211248_100000210327 [0,1,1,0,0,0|1,0,0]=3 470 B13R1.135 COC(=O)C(C)SC1CCCOC1 62a_100000211248_100000693364 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.135 COC(=O)C(C)SC1CCOCC1 62a_100000211248_100011324220 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.135 COC(=O)C(C)SC1CCSCC1 62a_100000211248_100000069128 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.135 O=C(CF)[C@H](O)CC1CCCCC1 1458a_100016183741_100015361967 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.148 C=C(C)C(C)NC1CCCC(C1)C 269862a_100011194320_100011216138 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.148 C=C(C)C(C)NC1CCCC(C1)O 269862a_100015190357_100011216138 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.148 CC(=O)C(C)NC1CCCC(C1)C 2230a_100011194320_100009814033 [0,1,1,0,0,0|1,0,0]=3 477 B13R1.148 CC(=O)C(C)NC1CCCC(C1)O 2230a_100015190357_100009814033 [0,1,1,0,0,0|1,0,0]=3 478 B13R1.148 CC(NC1CCCC(C1)O)C(=O)N 2230a_100015190357_100000702099 [0,1,1,0,0,0|1,0,0]=3 479 B13R1.148 CC1CC(CCO1)N[C@H](C)C(=O)N 270004a_100000119354_100000755752 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 2230a_100011194320_100000702099 [0,1,1,0,0,0|1,0,0]=3 481 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 34a_100011194320_100000702099 [0,1,1,0,0,0|1,0,0]=3 482 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 2230a_100011194320_100009813875 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 34a_100011194320_100009813875 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.148 CC1CCCC(C1)NC(F)C(=O)[O-] 34a_100011194320_100020610796 [0,1,1,0,0,0|1,0,1]=4 485 B13R1.148 CC1CCCC(C1)N[C@H](C)C(=O)N 270004a_100000119354_100000183594 [0,1,1,0,0,0|1,0,0]=3 486 B13R1.148 CC1CCCC(C1)OC(C)C(=O)N 34a_100000211399_100000702099 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.148 C[C@@H](NC1CCCC(C1)O)C(=O)N 270004a_100000119354_100012613340 [0,1,1,0,0,0|1,0,0]=3 488 B13R1.148 C[C@@H]1CC(CCN1)N[C@H](C)C(=O)N 270004a_100000119354_100016994030 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.148 NC(=O)C(F)NC1CCCC(C1)O 2230a_100015190357_100009813875 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.152 CC(=O)C(C)C(=O)C1CCCCC1 1458a_100000210647_100000179758 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 2230a_100000207522_100009814033 [0,1,1,0,0,0|1,0,0]=3 492 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 269982a_100000207522_100009814033 [0,1,1,0,0,0|1,0,0]=3 493 B13R1.152 CC(=O)C(C)N(C)C1CCOCC1 2230a_100020587155_100009814033 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.152 CC(=O)C(C)N(C)C1CCOCC1 269982a_100020587155_100009814033 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.152 CC(=O)C(C)N(C)C1CCSCC1 2230a_100015184757_100009814033 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.152 CC(=O)C(C)N(C)C1CCSCC1 269982a_100015184757_100009814033 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.152 CC(C(=O)N)C(=O)C1CCCCC1 1458a_100000210647_100000702099 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 2230a_100000207522_100000702099 [0,1,1,0,0,0|1,0,0]=3 499 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 269982a_100000207522_100000184083 [0,1,1,0,0,0|1,0,0]=3 500 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 34a_100000207522_100000702099 [0,1,1,0,0,0|1,0,0]=3 501 B13R1.152 CC(C(=O)N)N(C)C1CCOCC1 2230a_100020587155_100000702099 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.152 CC(C(=O)N)N(C)C1CCOCC1 269982a_100020587155_100000184083 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.152 CC(C(=O)N)N(C)C1CCOCC1 34a_100020587155_100000702099 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.152 CC(C(=O)N)N(C)C1CCSCC1 2230a_100015184757_100000702099 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.152 CC(C(=O)N)N(C)C1CCSCC1 269982a_100015184757_100000184083 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.152 CC(C(=O)N)N(C)C1CCSCC1 34a_100015184757_100000702099 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.152 CC(C(=O)O)N(C)C1C=CCCC1 269956a_100000749554_100000751183 [0,1,1,0,0,0|0,0,2]=4 508 B13R1.152 CC(C(=O)O)N(C)C1CCCCC1 269956a_100000749554_100000210327 [0,1,1,0,0,0|0,0,0]=2 509 B13R1.152 CC(C(=O)O)N(C)C1CCCOC1 269956a_100000749554_100000693364 [0,1,1,0,0,0|1,0,0]=3 510 B13R1.152 CC(C(=O)O)N(C)C1CCOCC1 269956a_100000749554_100011324220 [0,1,1,0,0,0|1,0,0]=3 511 B13R1.152 CC(C(=O)O)N(C)C1CCSCC1 269956a_100000749554_100000069128 [0,1,1,0,0,0|1,0,0]=3 512 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 2230a_100000207522_100009813875 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 269982a_100000207522_100009813875 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 34a_100000207522_100009813875 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.152 CN(C1CCCCC1)C(F)C(=O)[O-] 34a_100000207522_100020610796 [0,1,1,0,0,0|1,0,1]=4 516 B13R1.202 C=C(C)C(C)NC1CCCCC1C 269862a_100000211402_100011216138 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.202 C=C(C)C(C)N[C@@H]1CCCC[C@@H]1O 269862a_100015191688_100011216138 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.202 C=C(C)C(C)N[C@@H]1CCCC[C@H]1F 269862a_100015195156_100011216138 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,1,0,0,0|1,0,0]=3 520 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009814033 [0,1,1,0,0,0|1,0,0]=3 521 B13R1.202 CC(=O)C(C)N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100009814033 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.202 CC(=O)C(C)N[C@H]1CCOC[C@@H]1F 2230a_100016994078_100009814033 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.202 CC(=O)C(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100009814033 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.202 CC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100000179758 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.202 CC(=O)C(C)OC1CCCCC1F 34a_100000212229_100015423560 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.202 CC(=O)C(C)OC1CCCCC1O 34a_100000212229_100000038908 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000179758 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100009814033_100015423560 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100015423560_100009814033 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100000038908_100009814033 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100009814033_100000038908 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,1,1,0,0,0|1,0,0]=3 534 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,1,1,0,0,0|1,0,0]=3 535 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 2230a_100015195156_100000702099 [0,1,1,0,0,0|1,0,0]=3 536 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100015195156_100000702099 [0,1,1,0,0,0|1,0,0]=3 537 B13R1.202 CC(N[C@@H]1CCOC[C@@H]1O)C(=O)N 2230a_100016994285_100000702099 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.202 CC(N[C@H]1CCOC[C@@H]1F)C(=O)N 2230a_100016994078_100000702099 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.202 CC(N[C@H]1CCOC[C@@H]1F)C(=O)N 34a_100016994078_100000702099 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.202 CC(N[C@H]1COCC[C@@H]1O)C(=O)N 2230a_100015739063_100000702099 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 34a_100000038908_100000702099 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 7a_100000038908_100000702099 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100009816020_100000702099 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 7a_100009816020_100000702099 [0,1,1,0,0,0|2,0,0]=4 547 B13R1.202 CC(O[C@H]1CCCC[C@H]1N)C(=O)N 34a_100015191688_100000702099 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100000702099_100015423560 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100015423560_100000702099 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000038908_100000702099 [0,1,1,0,0,0|2,0,0]=4 551 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000702099_100000038908 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,1,1,0,0,0|1,0,1]=4 555 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,1,1,0,0,0|1,0,0]=3 556 B13R1.202 CC1CNCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000703950 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.202 CC1COCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000755695 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.202 C[C@@H](NC1CCCCC1=O)C(=O)N 34a_100000119354_100000754470 [0,1,1,0,0,0|1,0,1]=4 559 B13R1.202 C[C@@H](NC1CCCCC1F)C(=O)N 34a_100000119354_100015423560 [0,1,1,0,0,0|1,0,0]=3 560 B13R1.202 C[C@@H](NC1CCCCC1O)C(=O)N 34a_100000119354_100000038908 [0,1,1,0,0,0|1,0,0]=3 561 B13R1.202 C[C@@H](OC1CCCCC1F)C(=O)N 34a_100000731257_100015423560 [0,1,1,0,0,0|2,0,0]=4 562 B13R1.202 C[C@@H](OC1CCCCC1O)C(=O)N 34a_100000731257_100000038908 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.202 C[C@H](NC1CCCCC1=O)C(=O)O 269956a_100000743915_100000204591 [0,1,1,0,0,0|0,0,1]=3 564 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 269956a_100000743915_100015423560 [0,1,1,0,0,0|0,0,0]=2 565 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 269956a_100000743915_100000038908 [0,1,1,0,0,0|0,0,0]=2 566 B13R1.202 C[C@H](NC1CCCNC1=O)C(=O)O 269956a_100000743915_100000687798 [0,1,1,0,0,0|1,0,1]=4 567 B13R1.202 C[C@H](NC1COCCC1=O)C(=O)O 269956a_100000743915_100012180262 [0,1,1,0,0,0|1,0,1]=4 568 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009813875 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813875 [0,1,1,0,0,0|2,0,0]=4 570 B13R1.202 O=C([O-])C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100020610796 [0,1,1,0,0,0|1,0,1]=4 571 B13R1.353 CC(NC1CCCCC1)C(C)(C)O 269862a_100000182618_100000747739 [0,1,1,0,0,0|1,0,1]=4 572 B13R1.418 C=C[C@H](NC1CCCCC1)C(=O)O 269956a_100016992060_100000210327 [0,1,1,0,0,0|0,0,1]=3 573 B13R1.418 C=C[C@H](NC1CCCOC1)C(=O)O 269956a_100016992060_100000693364 [0,1,1,0,0,0|1,0,1]=4 574 B13R1.418 C=C[C@H](NC1CCOCC1)C(=O)O 269956a_100016992060_100011324220 [0,1,1,0,0,0|1,0,1]=4 575 B13R1.418 C=C[C@H](NC1CCSCC1)C(=O)O 269956a_100016992060_100000069128 [0,1,1,0,0,0|1,0,1]=4 576 B13R1.418 CCC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000750255 [0,1,1,0,0,0|1,0,0]=3 577 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000182618_100000750255 [0,1,1,0,0,0|1,0,0]=3 578 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000733705_100000210327 [0,1,1,0,0,0|1,0,0]=3 579 B13R1.418 CCC(NC1CCCOC1)C(=O)N 2230a_100000719290_100000750255 [0,1,1,0,0,0|2,0,0]=4 580 B13R1.418 CCC(NC1CCCOC1)C(=O)N 34a_100000719290_100000750255 [0,1,1,0,0,0|2,0,0]=4 581 B13R1.418 CCC(NC1CCCOC1)C(=O)N 34a_100000733705_100000693364 [0,1,1,0,0,0|2,0,0]=4 582 B13R1.418 CCC(NC1CCOCC1)C(=O)N 2230a_100000741149_100000750255 [0,1,1,0,0,0|2,0,0]=4 583 B13R1.418 CCC(NC1CCOCC1)C(=O)N 34a_100000741149_100000750255 [0,1,1,0,0,0|2,0,0]=4 584 B13R1.418 CCC(NC1CCSCC1)C(=O)N 2230a_100000748639_100000750255 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.418 CCC(NC1CCSCC1)C(=O)N 34a_100000733705_100000069128 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.418 CCC(NC1CCSCC1)C(=O)N 34a_100000748639_100000750255 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.418 CCC(OC1CCCCC1)C(=O)N 34a_100000210231_100000750255 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.418 CCC(OC1CCCCC1)C(=O)N 7a_100000210231_100000750255 [0,1,1,0,0,0|2,0,0]=4 589 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000210327_100000750255 [0,1,1,0,0,0|2,0,0]=4 590 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000750255_100000210327 [0,1,1,0,0,0|2,0,0]=4 591 B13R1.418 CC[C@@H](NC1C=CCCC1)C(=O)O 269956a_100000747097_100000751183 [0,1,1,0,0,0|0,0,2]=4 592 B13R1.418 CC[C@@H](NC1CCCCC1)C(=O)O 269956a_100000747097_100000210327 [0,1,1,0,0,0|0,0,0]=2 593 B13R1.418 CC[C@@H](NC1CCCOC1)C(=O)O 269956a_100000747097_100000693364 [0,1,1,0,0,0|1,0,0]=3 594 B13R1.418 CC[C@@H](NC1CCOCC1)C(=O)O 269956a_100000747097_100011324220 [0,1,1,0,0,0|1,0,0]=3 595 B13R1.418 CC[C@@H](NC1CCSCC1)C(=O)O 269956a_100000747097_100000069128 [0,1,1,0,0,0|1,0,0]=3 596 B13R1.418 CC[C@H](NC1CCCCC1)[C@@H](C)O 34a_100161114882_100000210327 [0,1,1,0,0,0|1,0,1]=4 597 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200000210301 [0,1,1,0,0,0|1,0,0]=3 598 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200000210301 [0,1,1,0,0,0|1,0,0]=3 599 B13R1.418 C[C@@H](O)[C@@H](CO)NC1CCCCC1 34a_100015196842_100000210327 [0,1,1,0,0,0|1,0,1]=4 600 B13R1.418 N#CC(NC1CCCCC1)C(=O)N 270004a_100000039599_100000210434 [0,1,1,0,0,0|1,0,1]=4 601 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 270004a_100000729942_100000210434 [0,1,1,0,0,0|1,0,0]=3 602 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 34a_100000729942_100000210327 [0,1,1,0,0,0|1,0,0]=3 603 B13R1.418 NC(=O)[C@H](CO)NC1CCCOC1 270004a_100000729942_100000753404 [0,1,1,0,0,0|2,0,0]=4 604 B13R1.418 NC(=O)[C@H](CO)NC1CCCOC1 34a_100000729942_100000693364 [0,1,1,0,0,0|2,0,0]=4 605 B13R1.418 NC(=O)[C@H](CO)NC1CCCSC1 270004a_100000729942_100000057913 [0,1,1,0,0,0|2,0,0]=4 606 B13R1.418 NC(=O)[C@H](CO)NC1CCNCC1 270004a_100000729942_100015192401 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.418 NC(=O)[C@H](CO)NC1CCOCC1 270004a_100000729942_100011217826 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.418 NC(=O)[C@H](CO)NC1CCSCC1 270004a_100000729942_100000203788 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.418 NC(=O)[C@H](CO)NC1CCSCC1 34a_100000729942_100000069128 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.418 O=C(O)C(CO)NC1C=CCCC1 269956a_100000187304_100000751183 [0,1,1,0,0,0|0,0,2]=4 611 B13R1.418 O=C(O)C(CO)NC1CCCCC1 269956a_100000187304_100000210327 [0,1,1,0,0,0|0,0,0]=2 612 B13R1.418 O=C(O)C(CO)NC1CCCOC1 269956a_100000187304_100000693364 [0,1,1,0,0,0|1,0,0]=3 613 B13R1.418 O=C(O)C(CO)NC1CCOCC1 269956a_100000187304_100011324220 [0,1,1,0,0,0|1,0,0]=3 614 B13R1.418 O=C(O)C(CO)NC1CCSCC1 269956a_100000187304_100000069128 [0,1,1,0,0,0|1,0,0]=3 615 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200025704644 [0,1,1,0,0,0|1,0,0]=3 616 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200025704644 [0,1,1,0,0,0|1,0,0]=3 617 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 34a_100000747739_100000210327 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000210231_100000075568 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000747739_100000210327 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000075568_100000210327 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000210327_100000075568 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702505 [0,1,1,0,0,0|1,0,0]=3 623 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000182618_100000702505 [0,1,1,0,0,0|1,0,0]=3 624 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000743658_100000210327 [0,1,1,0,0,0|1,0,0]=3 625 B13R1.1073 CC(C)(NC1CCCOC1)C(=O)N 2230a_100000719290_100000702505 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.1073 CC(C)(NC1CCCOC1)C(=O)N 34a_100000719290_100000702505 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.1073 CC(C)(NC1CCCOC1)C(=O)N 34a_100000743658_100000693364 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.1073 CC(C)(NC1CCOCC1)C(=O)N 2230a_100000741149_100000702505 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.1073 CC(C)(NC1CCOCC1)C(=O)N 34a_100000741149_100000702505 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.1073 CC(C)(NC1CCSCC1)C(=O)N 2230a_100000748639_100000702505 [0,1,1,0,0,0|2,0,0]=4 631 B13R1.1073 CC(C)(NC1CCSCC1)C(=O)N 34a_100000743658_100000069128 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.1073 CC(C)(NC1CCSCC1)C(=O)N 34a_100000748639_100000702505 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100000210231_100000702505 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100011626353_100000210327 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100000210231_100000702505 [0,1,1,0,0,0|2,0,0]=4 636 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100011626353_100000210327 [0,1,1,0,0,0|2,0,0]=4 637 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000210327_100000702505 [0,1,1,0,0,0|2,0,0]=4 638 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000702505_100000210327 [0,1,1,0,0,0|2,0,0]=4 639 B13R1.1073 O=C([O-])C(F)(F)NC1CCCCC1 34a_100000182618_100020612412 [0,1,1,0,0,0|1,0,1]=4 640 B13R1.6154 CC(=O)C(C)NC1(CCCCC1)C 2230a_100000741114_100009814033 [0,1,1,0,0,0|1,0,0]=3 641 B13R1.6154 CC(=O)C(C)NC1(CCOCC1)C 2230a_100000692449_100009814033 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.6154 CC(=O)C(C)OC1(CCCCC1)C 7a_100011215885_100000179758 [0,1,1,0,0,0|2,0,0]=4 643 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 2230a_100000741114_100000702099 [0,1,1,0,0,0|1,0,0]=3 644 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 34a_100000741114_100000702099 [0,1,1,0,0,0|1,0,0]=3 645 B13R1.6154 CC(NC1(CCOCC1)C)C(=O)N 2230a_100000692449_100000702099 [0,1,1,0,0,0|2,0,0]=4 646 B13R1.6154 CC(NC1(CCOCC1)C)C(=O)N 34a_100000692449_100000702099 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 34a_100011215885_100000702099 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 7a_100011215885_100000702099 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 2230a_100000741114_100009813875 [0,1,1,0,0,0|2,0,0]=4 650 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 34a_100000741114_100009813875 [0,1,1,0,0,0|2,0,0]=4 651 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)[O-] 34a_100000741114_100020610796 [0,1,1,0,0,0|1,0,1]=4 652 B13R1.90 C=C(C)CNC1CCCCC1OC 34a_100011208099_100000748629 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.90 C=C(F)CNC1CCCCC1OC 34a_100011208099_100009893438 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.90 CC(O)CNC1CCCCC1CO 270004a_100000210904_100009861125 [0,1,1,0,0,0|1,0,1]=4 655 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,1,1,0,0,0|1,0,1]=4 656 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,1,1,0,0,0|1,0,1]=4 657 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,1,1,0,0,0|1,0,1]=4 660 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,1,1,0,0,0|1,0,1]=4 663 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,1,1,0,0,0|1,0,0]=3 664 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,1,1,0,0,0|0,0,1]=3 665 B13R1.90 COC1CCCCC1NCC(C)O 270004a_100000210904_100000740605 [0,1,1,0,0,0|1,0,1]=4 666 B13R1.90 COC1CCCCC1NCC(C)O 34a_100011208099_100011218427 [0,1,1,0,0,0|1,0,1]=4 667 B13R1.90 COC1CCCCC1NC[C@@H](C)O 34a_100011208099_100009817552 [0,1,1,0,0,0|1,0,1]=4 668 B13R1.90 COC1CCCCC1NC[N+](=O)[O-] 34a_100011208099_100000761209 [0,1,1,0,0,0|1,0,1]=4 669 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,1,1,0,0,0|2,0,0]=4 670 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,1,1,0,0,0|1,0,1]=4 672 B13R1.90 NC(=O)CNC1CCOCC1CO 2230a_214813039666_100000747473 [0,1,1,0,0,0|2,0,0]=4 673 B13R1.90 NC(=O)CNC1CCOCC1CO 34a_214813039666_100000187820 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,1,1,0,0,0|1,0,1]=4 676 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,1,1,0,0,0|2,0,0]=4 677 B13R1.90 O=C([O-])CNC1CCOCC1CO 34a_214813039666_100020667443 [0,1,1,0,0,0|1,0,1]=4 678 B13R1.150 C=C(C)CNC1CCCC(C1C)C 2230a_100000211273_100000748629 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.150 C=C(C)CNC1CCCC(C1C)C 34a_100000211273_100000748629 [0,1,1,0,0,0|2,0,0]=4 680 B13R1.150 C=C(F)CNC1CCCC(C1C)C 2230a_100000211273_100009893438 [0,1,1,0,0,0|2,0,0]=4 681 B13R1.150 C=C(F)CNC1CCCC(C1C)C 34a_100000211273_100009893438 [0,1,1,0,0,0|2,0,0]=4 682 B13R1.150 CC(O)CNC1CCCC(C1C)C 2230a_100000211273_100011218427 [0,1,1,0,0,0|1,0,1]=4 683 B13R1.150 CC(O)CNC1CCCC(C1C)C 34a_100000211273_100011218427 [0,1,1,0,0,0|1,0,1]=4 684 B13R1.150 CC1CCCC(C1C)NCC(=O)N 2230a_100000211273_100000747473 [0,1,1,0,0,0|1,0,0]=3 685 B13R1.150 CC1CCCC(C1C)NCC(=O)N 34a_100000211273_100000187820 [0,1,1,0,0,0|1,0,0]=3 686 B13R1.150 CC1CCCC(C1C)NCC(=O)[O-] 34a_100000211273_100020667443 [0,1,1,0,0,0|0,0,1]=3 687 B13R1.150 CC1CCCC(C1C)NC[C@@H](C)O 2230a_100000211273_100009817552 [0,1,1,0,0,0|1,0,1]=4 688 B13R1.150 CC1CCCC(C1C)NC[C@@H](C)O 34a_100000211273_100009817552 [0,1,1,0,0,0|1,0,1]=4 689 B13R1.150 CC1CCCC(C1C)NC[N+](=O)[O-] 34a_100000211273_100000761209 [0,1,1,0,0,0|1,0,1]=4 690 B13R1.150 CC1CCCC(C1C)OCC(=O)N 34a_100011217532_100000187820 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.150 CC1CCCC(C1C)OCC(=O)N 7a_100011217532_100000187820 [0,1,1,0,0,0|2,0,0]=4 692 B13R1.150 CC1CCCC(C1C)OCC(=O)[O-] 34a_100011217532_100020667443 [0,1,1,0,0,0|1,0,1]=4 693 B13R1.157 CC1CCCCC1NCC(C)(C)O 269862a_100000751335_100000210921 [0,1,1,0,0,0|1,0,1]=4 694 B13R1.157 CC1CCCCC1NCC(C)(C)O 270004a_100000751335_100000210921 [0,1,1,0,0,0|1,0,1]=4 695 B13R1.157 CC1CCCCC1NCC(C)(C)O 34a_100000211402_100000764493 [0,1,1,0,0,0|1,0,1]=4 696 B13R1.157 CC1CCCCC1NCS(=O)(=O)[O-] 34a_100000211402_100009817235 [0,1,1,0,0,0|1,0,1]=4 697 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 34a_100011539931_100000187820 [0,1,1,0,0,0|2,0,0]=4 698 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 7a_100011539931_100000187820 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.164 CC1CCC(C(C1)C)OCC(=O)[O-] 34a_100011539931_100020667443 [0,1,1,0,0,0|1,0,1]=4 700 B13R1.201 C=C(C)CN(C)C1CCCCC1C 270004a_100000225649_100000210921 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.201 CC(O)CN(C)C1CCCCC1C 270004a_100000227577_100000210921 [0,1,1,0,0,0|1,0,1]=4 702 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,1,1,0,0,0|1,0,1]=4 704 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,1,1,0,0,0|1,0,0]=3 705 B13R1.201 CC1CNCCC1N(C)CC(=O)N 270004a_100000739694_100000703950 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.201 CC1COCCC1N(C)CC(=O)N 270004a_100000739694_100000755695 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.201 CN(CC(=O)N)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000187820 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.201 CN(CC(=O)O)C1CCCCC1=O 269956a_100000746989_100000204591 [0,1,1,0,0,0|1,0,1]=4 709 B13R1.201 CN(CC(=O)O)C1CCCCC1F 269956a_100000746989_100015423560 [0,1,1,0,0,0|1,0,0]=3 710 B13R1.201 CN(CC(=O)O)C1CCCCC1O 269956a_100000746989_100000038908 [0,1,1,0,0,0|1,0,0]=3 711 B13R1.201 CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1O 269982a_100000708425_100020667443 [0,1,1,0,0,0|1,0,1]=4 712 B13R1.528 C=C(C#N)CNC1CCCCC1C 2230a_100000211402_100000694840 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.528 C=C(C#N)CNC1CCCCC1C 34a_100000211402_100000694840 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.528 C=CC(O)CNC1CCCCC1C 2230a_100000211402_100000730141 [0,1,1,0,0,0|1,0,1]=4 715 B13R1.528 C=CC(O)CNC1CCCCC1C 34a_100000211402_100000730141 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.528 CC(CO)CNC1CCCCC1C 269862a_100000744482_100000210921 [0,1,1,0,0,0|1,0,1]=4 717 B13R1.528 CC1CCCCC1NCC(O)CO 2230a_100000211402_100011219619 [0,1,1,0,0,0|0,0,2]=4 718 B13R1.528 CC1CCCCC1NCC(O)CO 34a_100000211402_100011219619 [0,1,1,0,0,0|0,0,2]=4 719 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 2230a_100000211402_100000059175 [0,1,1,0,0,0|1,0,1]=4 720 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 34a_100000211402_100000059175 [0,1,1,0,0,0|1,0,1]=4 721 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 269862a_100015665980_100000210921 [0,1,1,0,0,0|1,0,1]=4 722 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100000210921 [0,1,1,0,0,0|1,0,1]=4 723 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 2230a_100000211402_100015614560 [0,1,1,0,0,0|1,0,1]=4 724 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 34a_100000211402_100015614560 [0,1,1,0,0,0|1,0,1]=4 725 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 2230a_100000211402_100009815848 [0,1,1,0,0,0|0,0,2]=4 726 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 34a_100000211402_100009815848 [0,1,1,0,0,0|0,0,2]=4 727 B13R1.528 CC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100000210921 [0,1,1,0,0,0|0,0,2]=4 728 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.528 CCC(O)CNC1CCCCC1C 2230a_100000211402_100011218378 [0,1,1,0,0,0|1,0,1]=4 732 B13R1.528 CCC(O)CNC1CCCCC1C 269862a_100011218483_100000210921 [0,1,1,0,0,0|1,0,1]=4 733 B13R1.528 CCC(O)CNC1CCCCC1C 270004a_100011218483_100000210921 [0,1,1,0,0,0|1,0,1]=4 734 B13R1.528 CCC(O)CNC1CCCCC1C 34a_100000211402_100011218378 [0,1,1,0,0,0|1,0,1]=4 735 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,1,0,0,0|2,0,0]=4 736 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,1,0,0,0|1,0,0]=3 737 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,1,0,0,0|1,0,0]=3 738 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,1,0,0,0|1,0,0]=3 739 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,1,0,0,0|1,0,0]=3 740 B13R1.528 CNC(=O)CNC1CCNCC1C 270004a_100000693194_100000703950 [0,1,1,0,0,0|2,0,0]=4 741 B13R1.528 CNC(=O)CNC1CCOCC1C 270004a_100000693194_100000755695 [0,1,1,0,0,0|2,0,0]=4 742 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183359 [0,1,1,0,0,0|2,0,0]=4 743 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183359 [0,1,1,0,0,0|2,0,0]=4 744 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,1,0,0,0|2,0,0]=4 750 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183359 [0,1,1,0,0,0|2,0,0]=4 751 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,1,0,0,0|2,0,0]=4 752 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,1,0,0,0|2,0,0]=4 753 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,1,0,0,0|0,0,0]=2 755 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,1,0,0,0|0,0,0]=2 756 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,1,0,0,0|1,0,0]=3 757 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,1,0,0,0|1,0,0]=3 758 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000747449 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000747449 [0,1,1,0,0,0|2,0,0]=4 760 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000747449 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.528 COC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000747449 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,1,0,0,0|1,0,0]=3 763 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,1,0,0,0|1,0,0]=3 764 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,1,0,0,0|2,0,0]=4 765 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,1,0,0,0|2,0,0]=4 766 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,1,0,0,0|2,0,0]=4 767 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,1,0,0,0|2,0,0]=4 768 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,1,0,0,0|2,0,0]=4 769 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,1,0,0,0|2,0,0]=4 770 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,1,0,0,0|1,0,0]=3 771 B13R1.528 COC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000747449 [0,1,1,0,0,0|2,0,0]=4 772 B13R1.528 COC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000747449 [0,1,1,0,0,0|2,0,0]=4 773 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,1,0,0,0|2,0,0]=4 774 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,1,0,0,0|2,0,0]=4 775 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,1,0,0,0|2,0,0]=4 776 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,1,0,0,0|2,0,0]=4 777 B13R1.528 CO[C@H](C)CNC1CCCCC1C 269862a_100020591295_100000210921 [0,1,1,0,0,0|1,0,1]=4 778 B13R1.528 CO[C@H](C)CNC1CCCCC1C 270004a_100020591295_100000210921 [0,1,1,0,0,0|1,0,1]=4 779 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.893 CC(O)CNC1CC(CCC1C)C 269862a_100000210904_100000034887 [0,1,1,0,0,0|1,0,1]=4 782 B13R1.893 CC(O)CNC1CC(CCC1C)C 270004a_100000210904_100000034887 [0,1,1,0,0,0|1,0,1]=4 783 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 34a_100011217446_100000187820 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 7a_100011217446_100000187820 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.893 CC1CCC(C(C1)OCC(=O)[O-])C 34a_100011217446_100020667443 [0,1,1,0,0,0|1,0,1]=4 786 B13R1.3575 CC(O)CNC1CCCCC1(C)C 269862a_100000210904_100000031690 [0,1,1,0,0,0|1,0,1]=4 787 B13R1.3575 NC(=O)CNC1CCCCC1(F)F 2230a_100000686509_100000747473 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.3575 NC(=O)CNC1CCCCC1(F)F 34a_100000686509_100000187820 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 269956a_100016091260_200009832135 [0,1,1,0,0,0|1,0,0]=3 790 B13R1.3575 O=C([O-])CNC1CCCCC1(F)F 34a_100000686509_100020667443 [0,1,1,0,0,0|1,0,1]=4 791 B13R1.3787 CC(O)CNC1C(CCCC1C)C 269862a_100000210904_100000211995 [0,1,1,0,0,0|1,0,1]=4 792 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 34a_100011218088_100000187820 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 7a_100011218088_100000187820 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.3787 CC1CCCC(C1OCC(=O)[O-])C 34a_100011218088_100020667443 [0,1,1,0,0,0|1,0,1]=4 795 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210211 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210211 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.495 CCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210303 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.495 CCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210303 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.495 CCNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_100015525214_200159312670 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_100000210202 [0,1,1,0,0,0|2,0,0]=4 801 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100121572206_200159312670 [0,1,1,0,0,0|2,0,0]=4 802 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_100000210202 [0,1,1,0,0,0|2,0,0]=4 803 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_100000210202_200159312670 [0,1,1,0,0,0|2,0,0]=4 804 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_200159312670_100000210202 [0,1,1,0,0,0|2,0,0]=4 805 B13R1.658 CCCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210211 [0,1,1,0,0,0|1,0,1]=4 806 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210211 [0,1,1,0,0,0|1,0,0]=3 807 B13R1.658 CCOCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000739092 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.658 COCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000233755 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.658 CSCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000212216 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCF 269956a_100015195206_100011934791 [0,1,1,0,0,0|2,0,0]=4 811 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCO 269956a_100015195206_100011215043 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.1706 CCC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000758301 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.1985 CC(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210760 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.1985 CC(O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218427 [0,1,1,0,0,0|2,0,0]=4 815 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100009817552 [0,1,1,0,0,0|2,0,0]=4 816 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,1,0,0,0|2,0,0]=4 818 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200015260668 [1,1,0,0,0,0|2,0,0]=4 819 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200015260668 [1,1,0,0,0,0|2,0,0]=4 820 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200009817547 [1,1,0,0,0,0|2,0,0]=4 821 B13R2.531 O=C(CO)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100000210174 [0,1,0,0,1,0|2,0,0]=4 822 B13R2.2334 CN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200000210301 [0,1,0,0,1,0|0,0,0]=2 823 B13R2.2334 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200025704644 [0,1,0,0,1,0|0,0,0]=2 824 B15R2.1569 COC(=O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000747449 [0,1,0,0,0,1|2,0,0]=4 825 B15R2.1569 COC(=O)CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000747449 [0,1,0,0,0,1|2,0,0]=4 826 B15R2.1569 COC(=O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000747449 [0,1,0,0,0,1|2,0,0]=4 827 B15R2.627 CN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200000210301 [0,1,0,0,0,1|0,0,0]=2 828 B15R2.627 [13CH3]N1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200025704644 [0,1,0,0,0,1|0,0,0]=2 829 B15R2.1601 O=C(CO)N1CCC2CCCCC2C1 240690a_100000211783_100000210174 [0,1,0,0,0,1|2,0,0]=4 830 B15R2.1601 O=C(CO)N1CCC2CCCCC2C1 527a_100000211783_100000210174 [0,1,0,0,0,1|2,0,0]=4 831 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 2230a_100102885509_200000210301 [0,2,0,0,0,0|0,0,0]=2 832 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 269982a_100102885509_200000210301 [0,2,0,0,0,0|0,0,0]=2 833 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 34a_100102885509_200000210301 [0,2,0,0,0,0|0,0,0]=2 834 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 2230a_100102885509_200025704644 [0,2,0,0,0,0|0,0,0]=2 835 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 269982a_100102885509_200025704644 [0,2,0,0,0,0|0,0,0]=2 836 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 34a_100102885509_200025704644 [0,2,0,0,0,0|0,0,0]=2 837 B15R2.4190 CCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210202 [0,2,0,0,0,0|0,0,0]=2 838 B15R2.4190 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CF 269956a_100000703543_100015361967 [0,2,0,0,0,0|0,0,0]=2 839 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000210968 [0,2,0,0,0,0|2,0,0]=4 840 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000210968 [0,2,0,0,0,0|2,0,0]=4 841 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000210968 [0,2,0,0,0,0|2,0,0]=4 842 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000210968 [0,2,0,0,0,0|2,0,0]=4 843 B15R2.1356 O=C(CCO)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100011216618 [0,2,0,0,0,0|2,0,0]=4 844 B11R0.37 C=C(C)C(C)NC(CC)CCC 269862a_100000747048_100011216138 [0,0,2,0,0,0|2,0,0]=4 845 B11R0.37 CCC(COC)NC(C)C(=O)C 2230a_100000757820_100009814033 [0,0,2,0,0,0|2,0,0]=4 846 B11R0.37 CCC(COC)NC(C)C(=O)N 2230a_100000757820_100000702099 [0,0,2,0,0,0|2,0,0]=4 847 B11R0.37 CCC(COC)N[C@H](C)C(=O)N 270004a_100000119354_100000757811 [0,0,2,0,0,0|2,0,0]=4 848 B11R0.37 CCCC(CC)NC(C)C(=O)C 2230a_100000747048_100009814033 [0,0,2,0,0,0|1,0,0]=3 849 B11R0.37 CCCC(CC)NC(C)C(=O)N 2230a_100000747048_100000702099 [0,0,2,0,0,0|1,0,0]=3 850 B11R0.37 CCCC(CC)NC(F)C(=O)N 2230a_100000747048_100009813875 [0,0,2,0,0,0|2,0,0]=4 851 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100011219200 [0,0,2,0,0,0|0,0,0]=2 852 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000687865 [0,0,2,0,0,0|1,0,0]=3 853 B11R0.37 CCCC(CC)OC(C)C(=O)C 7a_100000687864_100000179758 [0,0,2,0,0,0|2,0,0]=4 854 B11R0.37 CCCC(CC)OC(C)C(=O)N 34a_100000687864_100000702099 [0,0,2,0,0,0|2,0,0]=4 855 B11R0.37 CCCC(CC)OC(C)C(=O)N 7a_100000687864_100000702099 [0,0,2,0,0,0|2,0,0]=4 856 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011219200 [0,0,2,0,0,0|1,0,1]=4 857 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100011219200 [0,0,2,0,0,0|2,0,0]=4 858 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100009814033_100011219200 [0,0,2,0,0,0|2,0,0]=4 859 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100011219200_100009814033 [0,0,2,0,0,0|2,0,0]=4 860 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100000702099_100011219200 [0,0,2,0,0,0|2,0,0]=4 861 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100011219200_100000702099 [0,0,2,0,0,0|2,0,0]=4 862 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)C 2230a_100000732646_100009814033 [0,0,2,0,0,0|2,0,0]=4 863 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)N 2230a_100000732646_100000702099 [0,0,2,0,0,0|2,0,0]=4 864 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)N 34a_100000732646_100000702099 [0,0,2,0,0,0|2,0,0]=4 865 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,0,2,0,0,0|0,0,2]=4 866 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,0,2,0,0,0|2,0,0]=4 867 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,0,2,0,0,0|0,0,2]=4 868 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,0,2,0,0,0|2,0,0]=4 869 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,0,2,0,0,0|2,0,0]=4 870 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,0,2,0,0,0|2,0,0]=4 871 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,0,2,0,0,0|0,0,2]=4 872 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,0,2,0,0,0|2,0,0]=4 873 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,0,2,0,0,0|1,0,0]=3 874 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,0,2,0,0,0|1,0,0]=3 875 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,0,2,0,0,0|2,0,0]=4 876 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,0,2,0,0,0|0,0,0]=2 877 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,0,2,0,0,0|1,0,0]=3 878 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,0,2,0,0,0|1,0,0]=3 879 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,0,2,0,0,0|2,0,0]=4 880 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,0,2,0,0,0|2,0,0]=4 881 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,0,2,0,0,0|2,0,0]=4 882 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,0,2,0,0,0|2,0,0]=4 883 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,0,2,0,0,0|1,0,1]=4 884 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,0,2,0,0,0|2,0,0]=4 885 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,0,2,0,0,0|2,0,0]=4 886 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,0,2,0,0,0|2,0,0]=4 887 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,0,2,0,0,0|2,0,0]=4 888 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,0,2,0,0,0|2,0,0]=4 889 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,0,2,0,0,0|2,0,0]=4 890 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,0,2,0,0,0|2,0,0]=4 891 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,0,2,0,0,0|2,0,0]=4 892 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,0,2,0,0,0|2,0,0]=4 893 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,0,2,0,0,0|1,0,0]=3 894 B11R0.42 CCCCOCN[C@H](C)C(=O)N 2230a_100000119354_100011995733 [0,0,2,0,0,0|2,0,0]=4 895 B11R0.42 CCCCOCN[C@H](C)C(=O)N 34a_100000119354_100011995733 [0,0,2,0,0,0|2,0,0]=4 896 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,0,2,0,0,0|2,0,0]=4 897 B11R0.42 CCCOCCNC(C)C(=O)N 2230a_100161115042_100000702099 [0,0,2,0,0,0|2,0,0]=4 898 B11R0.42 CCCOCCNC(C)C(=O)N 34a_100161115042_100000702099 [0,0,2,0,0,0|2,0,0]=4 899 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,0,2,0,0,0|1,0,0]=3 900 B11R0.42 CCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215938 [0,0,2,0,0,0|2,0,0]=4 901 B11R0.42 CCCOCCN[C@H](C)C(=O)N 34a_100000119354_100011215938 [0,0,2,0,0,0|2,0,0]=4 902 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,0,2,0,0,0|2,0,0]=4 903 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,0,2,0,0,0|2,0,0]=4 904 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,0,2,0,0,0|2,0,0]=4 905 B11R0.42 CCOCCCNC(C)C(=O)N 2230a_100000210961_100000702099 [0,0,2,0,0,0|2,0,0]=4 906 B11R0.42 CCOCCCNC(C)C(=O)N 34a_100000210961_100000702099 [0,0,2,0,0,0|2,0,0]=4 907 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,0,2,0,0,0|1,0,0]=3 908 B11R0.42 CCOCCCN[C@H](C)C(=O)N 2230a_100000119354_100012232248 [0,0,2,0,0,0|2,0,0]=4 909 B11R0.42 CCOCCCN[C@H](C)C(=O)N 34a_100000119354_100012232248 [0,0,2,0,0,0|2,0,0]=4 910 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,0,2,0,0,0|1,0,0]=3 911 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,0,2,0,0,0|2,0,0]=4 912 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,0,2,0,0,0|2,0,0]=4 913 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,0,2,0,0,0|2,0,0]=4 914 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 2230a_100000119354_100000729378 [0,0,2,0,0,0|2,0,0]=4 915 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 34a_100000119354_100000729378 [0,0,2,0,0,0|2,0,0]=4 916 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,0,2,0,0,0|2,0,0]=4 917 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,0,2,0,0,0|2,0,0]=4 918 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,0,2,0,0,0|1,0,1]=4 919 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,0,2,0,0,0|1,0,1]=4 920 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,0,2,0,0,0|1,0,0]=3 921 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,0,2,0,0,0|1,0,0]=3 922 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,0,2,0,0,0|2,0,0]=4 923 B11R0.163 C=C(C)C(C)NC(C)CCCC 269862a_100000126638_100011216138 [0,0,2,0,0,0|2,0,0]=4 924 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [0,0,2,0,0,0|1,0,0]=3 925 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [0,0,2,0,0,0|1,0,0]=3 926 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [0,0,2,0,0,0|2,0,0]=4 927 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,0,2,0,0,0|0,0,0]=2 928 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [0,0,2,0,0,0|1,0,0]=3 929 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [0,0,2,0,0,0|1,0,0]=3 930 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [0,0,2,0,0,0|1,0,0]=3 931 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [0,0,2,0,0,0|2,0,0]=4 932 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [0,0,2,0,0,0|2,0,0]=4 933 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [0,0,2,0,0,0|2,0,0]=4 934 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [0,0,2,0,0,0|2,0,0]=4 935 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [0,0,2,0,0,0|1,0,1]=4 936 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [0,0,2,0,0,0|2,0,0]=4 937 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [0,0,2,0,0,0|2,0,0]=4 938 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [0,0,2,0,0,0|2,0,0]=4 939 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [0,0,2,0,0,0|2,0,0]=4 940 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [0,0,2,0,0,0|2,0,0]=4 941 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [0,0,2,0,0,0|2,0,0]=4 942 B11R0.163 CCSCC(C)N[C@H](C)C(=O)N 270004a_100000119354_200011216171 [0,0,2,0,0,0|2,0,0]=4 943 B11R0.163 COCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000742357 [0,0,2,0,0,0|2,0,0]=4 944 B11R0.163 CSCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011217047 [0,0,2,0,0,0|2,0,0]=4 945 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [0,0,2,0,0,0|2,0,0]=4 946 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [0,0,2,0,0,0|2,0,0]=4 947 B11R0.36 CCCCC(NCCF)C(=O)N 34a_100000724931_100000748834 [0,0,2,0,0,0|2,0,0]=4 948 B11R0.36 CCCCC(NCCO)C(=O)N 2230a_100016997473_100000748834 [0,0,2,0,0,0|2,0,0]=4 949 B11R0.36 CCCCC(NCCO)C(=O)N 34a_100016990907_100000748834 [0,0,2,0,0,0|2,0,0]=4 950 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [0,0,2,0,0,0|2,0,0]=4 951 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [0,0,2,0,0,0|2,0,0]=4 952 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [0,0,2,0,0,0|2,0,0]=4 953 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [0,0,2,0,0,0|1,0,0]=3 954 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [0,0,2,0,0,0|1,0,0]=3 955 B11R0.36 CCCC[C@H](NCCF)C(=O)N 2230a_100000124899_100011217306 [0,0,2,0,0,0|2,0,0]=4 956 B11R0.36 CCCC[C@H](NCCF)C(=O)N 34a_100000124899_100011217306 [0,0,2,0,0,0|2,0,0]=4 957 B11R0.36 CCCC[C@H](NCCO)C(=O)N 2230a_100000124899_100000211926 [0,0,2,0,0,0|2,0,0]=4 958 B11R0.36 CCCC[C@H](NCCO)C(=O)N 34a_100000124899_100000211926 [0,0,2,0,0,0|2,0,0]=4 959 B11R0.36 CCCC[C@H](NCOC)C(=O)N 2230a_100000124899_100000766300 [0,0,2,0,0,0|2,0,0]=4 960 B11R0.36 CCCC[C@H](NCSC)C(=O)N 2230a_100000124899_100011218213 [0,0,2,0,0,0|2,0,0]=4 961 B11R0.36 CCCC[C@H](NCSC)C(=O)N 34a_100000124899_100011218213 [0,0,2,0,0,0|2,0,0]=4 962 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210303 [0,0,2,0,0,0|2,0,0]=4 963 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210303 [0,0,2,0,0,0|2,0,0]=4 964 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,0,2,0,0,0|1,0,0]=3 965 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,0,2,0,0,0|1,0,0]=3 966 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,0,2,0,0,0|2,0,0]=4 967 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,0,2,0,0,0|2,0,0]=4 968 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,0,2,0,0,0|2,0,0]=4 969 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,0,2,0,0,0|2,0,0]=4 970 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,0,2,0,0,0|2,0,0]=4 971 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,0,2,0,0,0|2,0,0]=4 972 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,0,2,0,0,0|2,0,0]=4 973 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,0,2,0,0,0|2,0,0]=4 974 B11R0.118 CC[C@H](C)[C@@H](CO)NCC(=O)N 2230a_100011827617_100000747473 [0,0,2,0,0,0|2,0,0]=4 975 B11R0.59 CCCC(C)C(C)NCC(C)O 270004a_100000210904_100011216282 [0,0,2,0,0,0|1,0,1]=4 976 B11R0.59 CCCC(C)C(C)OCC(=O)N 34a_100000708338_100000187820 [0,0,2,0,0,0|2,0,0]=4 977 B11R0.59 CCCC(C)C(C)OCC(=O)N 7a_100000708338_100000187820 [0,0,2,0,0,0|2,0,0]=4 978 B11R0.59 CCCC(C)C(C)OCC(=O)[O-] 34a_100000708338_100020667443 [0,0,2,0,0,0|1,0,1]=4 979 B11R0.146 CC(C)C(CCO)NCC(=O)N 2230a_100161115045_100000747473 [0,0,2,0,0,0|2,0,0]=4 980 B11R0.146 CC(C)C(CCO)NCC(=O)N 34a_100161115045_100000187820 [0,0,2,0,0,0|2,0,0]=4 981 B11R0.146 CC(C)C(CCO)NCC(=O)[O-] 34a_100161115045_100020667443 [0,0,2,0,0,0|1,0,1]=4 982 B11R0.146 CCCC(OCC(=O)N)C(C)C 34a_200011215069_100000187820 [0,0,2,0,0,0|2,0,0]=4 983 B11R0.146 CCCC(OCC(=O)N)C(C)C 7a_200011215069_100000187820 [0,0,2,0,0,0|2,0,0]=4 984 B11R0.146 CCCC(OCC(=O)[O-])C(C)C 34a_200011215069_100020667443 [0,0,2,0,0,0|1,0,1]=4 985 B11R0.146 COCC(NCC(=O)N)C(C)C 2230a_100000760233_100000747473 [0,0,2,0,0,0|2,0,0]=4 986 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,0,2,0,0,0|2,0,0]=4 987 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,0,2,0,0,0|2,0,0]=4 988 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,0,2,0,0,0|1,0,1]=4 989 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,0,2,0,0,0|2,0,0]=4 990 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,0,2,0,0,0|2,0,0]=4 991 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,0,2,0,0,0|2,0,0]=4 992 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,0,2,0,0,0|1,0,1]=4 993 B11R0.147 CCCOC(C)CNCC(=O)N 2230a_100015185124_100000747473 [0,0,2,0,0,0|2,0,0]=4 994 B11R0.147 CCCOC(C)CNCC(=O)N 34a_100015185124_100000187820 [0,0,2,0,0,0|2,0,0]=4 995 B11R0.147 CCCOC(C)CNCC(=O)[O-] 34a_100015185124_100020667443 [0,0,2,0,0,0|1,0,1]=4 996 B11R0.147 C[C@H](CCCO)CNCC(=O)N 2230a_100160569302_100000747473 [0,0,2,0,0,0|2,0,0]=4 997 B11R0.147 C[C@H](CCCO)CNCC(=O)N 34a_100160569302_100000187820 [0,0,2,0,0,0|2,0,0]=4 998 B11R0.147 C[C@H](CCCO)CNCC(=O)[O-] 34a_100160569302_100020667443 [0,0,2,0,0,0|1,0,1]=4 999 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,2,0,0,0|0,0,2]=4 1000 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,2,0,0,0|2,0,0]=4 1001 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,2,0,0,0|2,0,0]=4 1002 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,2,0,0,0|0,0,2]=4 1003 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,2,0,0,0|2,0,0]=4 1004 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,2,0,0,0|2,0,0]=4 1005 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,2,0,0,0|2,0,0]=4 1006 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,2,0,0,0|2,0,0]=4 1007 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,2,0,0,0|2,0,0]=4 1008 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,2,0,0,0|2,0,0]=4 1009 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,2,0,0,0|1,0,0]=3 1010 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,2,0,0,0|1,0,0]=3 1011 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,2,0,0,0|0,0,0]=2 1012 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,2,0,0,0|1,0,1]=4 1013 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,2,0,0,0|1,0,1]=4 1014 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,2,0,0,0|1,0,1]=4 1015 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,2,0,0,0|1,0,1]=4 1016 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,2,0,0,0|2,0,0]=4 1017 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,2,0,0,0|2,0,0]=4 1018 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,2,0,0,0|2,0,0]=4 1019 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,2,0,0,0|1,0,1]=4 1020 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,2,0,0,0|2,0,0]=4 1021 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,2,0,0,0|2,0,0]=4 1022 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,2,0,0,0|1,0,1]=4 1023 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,2,0,0,0|1,0,1]=4 1024 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,2,0,0,0|2,0,0]=4 1025 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,2,0,0,0|2,0,0]=4 1026 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,2,0,0,0|2,0,0]=4 1027 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,2,0,0,0|1,0,0]=3 1028 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,2,0,0,0|2,0,0]=4 1029 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,2,0,0,0|2,0,0]=4 1030 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,2,0,0,0|2,0,0]=4 1031 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,2,0,0,0|1,0,1]=4 1032 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,2,0,0,0|2,0,0]=4 1033 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,2,0,0,0|2,0,0]=4 1034 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,2,0,0,0|1,0,1]=4 1035 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,2,0,0,0|2,0,0]=4 1036 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,2,0,0,0|1,0,1]=4 1037 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,2,0,0,0|2,0,0]=4 1038 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,2,0,0,0|2,0,0]=4 1039 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,2,0,0,0|2,0,0]=4 1040 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,2,0,0,0|2,0,0]=4 1041 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,2,0,0,0|2,0,0]=4 1042 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,2,0,0,0|1,0,1]=4 1043 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,2,0,0,0|2,0,0]=4 1044 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,2,0,0,0|2,0,0]=4 1045 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,2,0,0,0|2,0,0]=4 1046 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,2,0,0,0|1,0,0]=3 1047 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,2,0,0,0|1,0,0]=3 1048 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,2,0,0,0|1,0,1]=4 1049 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,2,0,0,0|1,0,1]=4 1050 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,0,2,0,0,0|2,0,0]=4 1051 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,0,2,0,0,0|2,0,0]=4 1052 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,0,2,0,0,0|0,0,0]=2 1053 B11R0.164 CCCCC(CC)NCC(C)O 270004a_100000210904_100000753412 [0,0,2,0,0,0|1,0,1]=4 1054 B11R0.164 CCCCC(CC)NCC(C)O 34a_100000210904_200011216223 [0,0,2,0,0,0|1,0,1]=4 1055 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,0,2,0,0,0|2,0,0]=4 1056 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,0,2,0,0,0|2,0,0]=4 1057 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,0,2,0,0,0|2,0,0]=4 1058 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,0,2,0,0,0|1,0,1]=4 1059 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,0,2,0,0,0|2,0,0]=4 1060 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,0,2,0,0,0|2,0,0]=4 1061 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,0,2,0,0,0|1,0,1]=4 1062 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,0,2,0,0,0|1,0,1]=4 1063 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 2230a_100011934283_100000747473 [0,0,2,0,0,0|2,0,0]=4 1064 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 34a_100011934283_100000187820 [0,0,2,0,0,0|2,0,0]=4 1065 B11R0.164 CCCC[C@@H](CO)NCC(=O)[O-] 34a_100011934283_100020667443 [0,0,2,0,0,0|1,0,1]=4 1066 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [0,0,2,0,0,0|0,0,2]=4 1067 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,0,2,0,0,0|0,0,2]=4 1068 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,0,2,0,0,0|0,0,2]=4 1069 B11R0.78 CC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748600 [0,0,2,0,0,0|0,0,2]=4 1070 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,0,2,0,0,0|2,0,0]=4 1071 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,0,2,0,0,0|2,0,0]=4 1072 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210211 [0,0,2,0,0,0|1,0,0]=3 1073 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210210 [0,0,2,0,0,0|1,0,0]=3 1074 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,0,2,0,0,0|0,0,0]=2 1075 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,0,2,0,0,0|1,0,0]=3 1076 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,0,2,0,0,0|1,0,0]=3 1077 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,0,2,0,0,0|1,0,0]=3 1078 B11R0.78 CCCCOC(CCC)C(=O)N 34a_100011626294_100000210210 [0,0,2,0,0,0|2,0,0]=4 1079 B11R0.78 CCCCOC(CCC)C(=O)N 7a_100011626294_100000210211 [0,0,2,0,0,0|2,0,0]=4 1080 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [0,0,2,0,0,0|1,0,1]=4 1081 B11R0.78 CCC[C@H](NCCCF)C(=O)N 2230a_100000729256_100011934791 [0,0,2,0,0,0|2,0,0]=4 1082 B11R0.78 CCC[C@H](NCCCF)C(=O)N 34a_100000729256_100011934791 [0,0,2,0,0,0|2,0,0]=4 1083 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,0,2,0,0,0|1,0,0]=3 1084 B11R0.78 CCC[C@H](NCCCO)C(=O)N 2230a_100000729256_100000230001 [0,0,2,0,0,0|2,0,0]=4 1085 B11R0.78 CCC[C@H](NCCCO)C(=O)N 34a_100000729256_100000230001 [0,0,2,0,0,0|2,0,0]=4 1086 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,0,2,0,0,0|1,0,0]=3 1087 B11R0.78 CCC[C@H](NCCOC)C(=O)N 2230a_100000729256_100011201679 [0,0,2,0,0,0|2,0,0]=4 1088 B11R0.78 CCC[C@H](NCCOC)C(=O)N 34a_100000729256_100011201679 [0,0,2,0,0,0|2,0,0]=4 1089 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,0,2,0,0,0|1,0,0]=3 1090 B11R0.78 CCC[C@H](NCCSC)C(=O)N 2230a_100000729256_100000751147 [0,0,2,0,0,0|2,0,0]=4 1091 B11R0.78 CCC[C@H](NCCSC)C(=O)N 34a_100000729256_100000212216 [0,0,2,0,0,0|2,0,0]=4 1092 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,0,2,0,0,0|1,0,0]=3 1093 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,0,2,0,0,0|1,0,0]=3 1094 B11R0.78 CCOCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000739092 [0,0,2,0,0,0|2,0,0]=4 1095 B11R0.78 CCOCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000739092 [0,0,2,0,0,0|2,0,0]=4 1096 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,0,2,0,0,0|2,0,0]=4 1097 B11R0.78 COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000233755 [0,0,2,0,0,0|2,0,0]=4 1098 B11R0.78 COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000233755 [0,0,2,0,0,0|2,0,0]=4 1099 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,0,2,0,0,0|2,0,0]=4 1100 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,0,2,0,0,0|2,0,0]=4 1101 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,0,2,0,0,0|2,0,0]=4 1102 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,0,2,0,0,0|2,0,0]=4 1103 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,0,2,0,0,0|2,0,0]=4 1104 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,0,2,0,0,0|2,0,0]=4 1105 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,0,2,0,0,0|2,0,0]=4 1106 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,0,2,0,0,0|2,0,0]=4 1107 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,0,2,0,0,0|2,0,0]=4 1108 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,0,2,0,0,0|2,0,0]=4 1109 B11R0.76 C#CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215417 [0,0,2,0,0,0|0,0,2]=4 1110 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,0,2,0,0,0|0,0,2]=4 1111 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,0,2,0,0,0|0,0,2]=4 1112 B11R0.76 CC/C=C\CN[C@H](CC)C(=O)O 269956a_100000747097_100103147603 [0,0,2,0,0,0|0,0,2]=4 1113 B11R0.76 CCC#CCN[C@H](CC)C(=O)O 269956a_100000747097_100009813939 [0,0,2,0,0,0|0,0,2]=4 1114 B11R0.76 CCC(NCCCCF)C(=O)N 2230a_100000733705_100000729493 [0,0,2,0,0,0|2,0,0]=4 1115 B11R0.76 CCC(NCCCCF)C(=O)N 34a_100000733705_100000729493 [0,0,2,0,0,0|2,0,0]=4 1116 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [0,0,2,0,0,0|2,0,0]=4 1117 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [0,0,2,0,0,0|2,0,0]=4 1118 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [0,0,2,0,0,0|2,0,0]=4 1119 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [0,0,2,0,0,0|2,0,0]=4 1120 B11R0.76 CCC(NCCCOC)C(=O)N 2230a_100000733705_100000740836 [0,0,2,0,0,0|2,0,0]=4 1121 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100000733705_100000740836 [0,0,2,0,0,0|2,0,0]=4 1122 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100150723488_100000750255 [0,0,2,0,0,0|2,0,0]=4 1123 B11R0.76 CCC(NCCCSC)C(=O)N 2230a_100000749238_100000750255 [0,0,2,0,0,0|2,0,0]=4 1124 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,0,2,0,0,0|1,0,0]=3 1125 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,0,2,0,0,0|1,0,0]=3 1126 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,0,2,0,0,0|1,0,0]=3 1127 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,0,2,0,0,0|1,0,0]=3 1128 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210326 [0,0,2,0,0,0|1,0,1]=4 1129 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000718602 [0,0,2,0,0,0|1,0,1]=4 1130 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210326 [0,0,2,0,0,0|2,0,0]=4 1131 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000718602 [0,0,2,0,0,0|2,0,0]=4 1132 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,0,2,0,0,0|0,0,0]=2 1133 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,0,2,0,0,0|2,0,0]=4 1134 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,0,2,0,0,0|2,0,0]=4 1135 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,0,2,0,0,0|2,0,0]=4 1136 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,0,2,0,0,0|2,0,0]=4 1137 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_100000733705_100011215890 [0,0,2,0,0,0|2,0,0]=4 1138 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_102516460346_100000750255 [0,0,2,0,0,0|2,0,0]=4 1139 B11R0.76 CCOCCNC(CC)C(=O)N 34a_100000733705_100000210147 [0,0,2,0,0,0|2,0,0]=4 1140 B11R0.76 CCOCCNC(CC)C(=O)N 34a_102516460346_100000750255 [0,0,2,0,0,0|2,0,0]=4 1141 B11R0.76 CCOCCNC(CO)C(=O)O 269956a_100000187304_100000210147 [0,0,2,0,0,0|2,0,0]=4 1142 B11R0.76 CCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210147 [0,0,2,0,0,0|1,0,0]=3 1143 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000106463_100000750255 [0,0,2,0,0,0|2,0,0]=4 1144 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000733705_100000757381 [0,0,2,0,0,0|2,0,0]=4 1145 B11R0.76 CCSCCNC(CC)C(=O)N 34a_100000733705_100000757381 [0,0,2,0,0,0|2,0,0]=4 1146 B11R0.76 CCSCCNC(CO)C(=O)O 269956a_100000187304_100000757381 [0,0,2,0,0,0|2,0,0]=4 1147 B11R0.76 CCSCCN[C@H](CC)C(=O)O 269956a_100000747097_100000757381 [0,0,2,0,0,0|1,0,0]=3 1148 B11R0.76 CC[C@@H](NCCCC#N)C(=O)O 269956a_100000747097_100000687738 [0,0,2,0,0,0|1,0,1]=4 1149 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [0,0,2,0,0,0|1,0,1]=4 1150 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,0,2,0,0,0|1,0,0]=3 1151 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,0,2,0,0,0|1,0,0]=3 1152 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,0,2,0,0,0|1,0,0]=3 1153 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,0,2,0,0,0|2,0,0]=4 1154 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,0,2,0,0,0|2,0,0]=4 1155 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,0,2,0,0,0|2,0,0]=4 1156 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,0,1,1,0,0|1,0,0]=3 1157 B13R2.27 O=C1CCC1NC2CCCOC2 34a_100000719290_100009892977 [0,0,1,1,0,0|2,0,0]=4 1158 B13R2.27 O=C1CCC1NC2CCOCC2 34a_100000741149_100009892977 [0,0,1,1,0,0|2,0,0]=4 1159 B13R2.27 O=C1CCC1NC2CCSCC2 34a_100000748639_100009892977 [0,0,1,1,0,0|2,0,0]=4 1160 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,0,1,1,0,0|2,0,0]=4 1161 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,0,1,1,0,0|2,0,0]=4 1162 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,0,1,1,0,0|2,0,0]=4 1163 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,0,1,1,0,0|2,0,0]=4 1164 B13R2.373 C[C@H]1[C@H](CN1C2CCCCC2)O 269982a_206633788156_100000210327 [0,0,1,1,0,0|1,0,1]=4 1165 B13R2.373 C[C@H]1[C@H](CN1C2CCCCC2)O 270004a_206633788156_100000210434 [0,0,1,1,0,0|1,0,1]=4 1166 B13R2.444 CC(NC1CCCCC1)C2CO2 270004a_100000182618_100000031964 [0,0,1,1,0,0|1,0,1]=4 1167 B13R2.7919 CC(OC1CCC2C1C2)C(=O)N 34a_200012295571_100000702099 [0,0,1,1,0,0|2,0,0]=4 1168 B13R2.7919 C[C@@H](NC1CCC2C1C2)C(=O)N 270004a_100000119354_100000692480 [0,0,1,1,0,0|1,0,0]=3 1169 B13R2.7921 C[C@@H](NC1CC2CC2C1)C(=O)N 270004a_100000119354_100010340937 [0,0,1,1,0,0|1,0,0]=3 1170 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 2230a_100000735658_100009814033 [0,0,1,1,0,0|1,0,0]=3 1171 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 269982a_100000735658_100009814033 [0,0,1,1,0,0|1,0,0]=3 1172 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 2230a_100000735658_100000702099 [0,0,1,1,0,0|1,0,0]=3 1173 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 269982a_100000735658_100000184083 [0,0,1,1,0,0|1,0,0]=3 1174 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 34a_100000735658_100000702099 [0,0,1,1,0,0|1,0,0]=3 1175 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 2230a_100000735658_100009813875 [0,0,1,1,0,0|2,0,0]=4 1176 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 269982a_100000735658_100009813875 [0,0,1,1,0,0|2,0,0]=4 1177 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 34a_100000735658_100009813875 [0,0,1,1,0,0|2,0,0]=4 1178 B13R2.7936 O=C([O-])C(F)N1C2CCC1CC2 34a_100000735658_100020610796 [0,0,1,1,0,0|1,0,1]=4 1179 B13R2.7972 CC(=O)C(C)NC1C2C1COC2 2230a_100000702821_100009814033 [0,0,1,1,0,0|2,0,0]=4 1180 B13R2.7972 CC(NC1C2C1COC2)C(=O)N 2230a_100000702821_100000702099 [0,0,1,1,0,0|2,0,0]=4 1181 B13R2.7972 CC(NC1C2C1COC2)C(=O)N 34a_100000702821_100000702099 [0,0,1,1,0,0|2,0,0]=4 1182 B13R2.3587 CC1CCCCC1NCC2CO2 2230a_100000211402_100011216344 [0,0,1,1,0,0|1,0,1]=4 1183 B13R2.3587 CC1CCCCC1NCC2CO2 34a_100000211402_102125554688 [0,0,1,1,0,0|1,0,1]=4 1184 B13R2.5551 C=C(C)CNC1CC2CCC1C2 2230a_100000758229_100000748629 [0,0,1,1,0,0|2,0,0]=4 1185 B13R2.5551 C=C(C)CNC1CC2CCC1C2 34a_100000758229_100000748629 [0,0,1,1,0,0|2,0,0]=4 1186 B13R2.5551 C=C(F)CNC1CC2CCC1C2 2230a_100000758229_100009893438 [0,0,1,1,0,0|2,0,0]=4 1187 B13R2.5551 C=C(F)CNC1CC2CCC1C2 34a_100000758229_100009893438 [0,0,1,1,0,0|2,0,0]=4 1188 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,0,1,1,0,0|2,0,0]=4 1189 B13R2.5551 CC(O)CNC1CC2CCC1C2 2230a_100000758229_100011218427 [0,0,1,1,0,0|1,0,1]=4 1190 B13R2.5551 CC(O)CNC1CC2CCC1C2 269862a_100000210904_100000223372 [0,0,1,1,0,0|1,0,1]=4 1191 B13R2.5551 CC(O)CNC1CC2CCC1C2 270004a_100000210904_100000223372 [0,0,1,1,0,0|1,0,1]=4 1192 B13R2.5551 CC(O)CNC1CC2CCC1C2 34a_100000210904_100000727232 [0,0,1,1,0,0|1,0,1]=4 1193 B13R2.5551 CC(O)CNC1CC2CCC1C2 34a_100000758229_100011218427 [0,0,1,1,0,0|1,0,1]=4 1194 B13R2.5551 C[C@@H](O)CNC1CC2CCC1C2 2230a_100000758229_100009817552 [0,0,1,1,0,0|1,0,1]=4 1195 B13R2.5551 C[C@@H](O)CNC1CC2CCC1C2 34a_100000758229_100009817552 [0,0,1,1,0,0|1,0,1]=4 1196 B13R2.5551 NC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747473 [0,0,1,1,0,0|1,0,0]=3 1197 B13R2.5551 NC(=O)CNC1CC2CCC1C2 34a_100000758229_100000187820 [0,0,1,1,0,0|1,0,0]=3 1198 B13R2.5551 NC(=O)COC1CC2CCC1C2 34a_100000211339_100000187820 [0,0,1,1,0,0|2,0,0]=4 1199 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747473 [0,0,1,1,0,0|2,0,0]=4 1200 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000747473_100000727232 [0,0,1,1,0,0|2,0,0]=4 1201 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,0,1,1,0,0|0,0,0]=2 1202 B13R2.5551 O=C([O-])CNC1CC2CCC1C2 34a_100000758229_100020667443 [0,0,1,1,0,0|0,0,1]=3 1203 B13R2.5551 O=C([O-])COC1CC2CCC1C2 34a_100000211339_100020667443 [0,0,1,1,0,0|1,0,1]=4 1204 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100000727232_100020667443 [0,0,1,1,0,0|1,0,1]=4 1205 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100020667443_100000727232 [0,0,1,1,0,0|1,0,1]=4 1206 B13R2.5551 O=[N+]([O-])CNC1CC2CCC1C2 34a_100000758229_100000761209 [0,0,1,1,0,0|1,0,1]=4 1207 B13R2.13856 CC(O)CNC1CCCC2C1C2 269862a_100000210904_100000697651 [0,0,1,1,0,0|1,0,1]=4 1208 B13R2.5554 O=C(O)[C@@H]1CC[C@@H](C1)NC2CC2 269956a_100015195206_100000211595 [0,0,1,1,0,0|2,0,0]=4 1209 B11R1.35 C=C(C)C(C)NC1CCCC1 269862a_100000211070_100011216138 [0,0,1,0,1,0|2,0,0]=4 1210 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,0,1,0,1,0|1,0,0]=3 1211 B11R1.35 CC(=O)C(C)N[C@@H]1CCOC1 2230a_200015188469_100009814033 [0,0,1,0,1,0|2,0,0]=4 1212 B11R1.35 CC(=O)C(C)N[C@H]1CCOC1 2230a_100015188467_100009814033 [0,0,1,0,1,0|2,0,0]=4 1213 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,0,1,0,1,0|2,0,0]=4 1214 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,0,1,0,1,0|2,0,0]=4 1215 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,0,1,0,1,0|2,0,0]=4 1216 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,0,1,0,1,0|2,0,0]=4 1217 B11R1.35 CC(NC1CCCC1)C(=O)N 2230a_100000211070_100000702099 [0,0,1,0,1,0|1,0,0]=3 1218 B11R1.35 CC(NC1CCCC1)C(=O)N 34a_100000211070_100000702099 [0,0,1,0,1,0|1,0,0]=3 1219 B11R1.35 CC(N[C@@H]1CCOC1)C(=O)N 2230a_200015188469_100000702099 [0,0,1,0,1,0|2,0,0]=4 1220 B11R1.35 CC(N[C@H]1CCOC1)C(=O)N 2230a_100015188467_100000702099 [0,0,1,0,1,0|2,0,0]=4 1221 B11R1.35 CC(N[C@H]1CCOC1)C(=O)N 34a_100015188467_100000702099 [0,0,1,0,1,0|2,0,0]=4 1222 B11R1.35 CC(OC1CCCC1)C(=O)N 34a_100000210269_100000702099 [0,0,1,0,1,0|2,0,0]=4 1223 B11R1.35 CC(OC1CCCC1)C(=O)N 7a_100000210269_100000702099 [0,0,1,0,1,0|2,0,0]=4 1224 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100000702099_100000179811 [0,0,1,0,1,0|2,0,0]=4 1225 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100011217020_100000702099 [0,0,1,0,1,0|2,0,0]=4 1226 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 2230a_100000119354_100000179811 [0,0,1,0,1,0|1,0,0]=3 1227 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 270004a_100000119354_100000210133 [0,0,1,0,1,0|1,0,0]=3 1228 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 34a_100000119354_100000179811 [0,0,1,0,1,0|1,0,0]=3 1229 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 2230a_100000119354_100000731011 [0,0,1,0,1,0|2,0,0]=4 1230 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 270004a_100000119354_100000752484 [0,0,1,0,1,0|2,0,0]=4 1231 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 34a_100000119354_100000690089 [0,0,1,0,1,0|2,0,0]=4 1232 B11R1.35 C[C@@H](NC1CCSC1)C(=O)N 270004a_100000119354_100000212027 [0,0,1,0,1,0|2,0,0]=4 1233 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 34a_100000731257_100000179811 [0,0,1,0,1,0|2,0,0]=4 1234 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 7a_100000731257_100000179811 [0,0,1,0,1,0|2,0,0]=4 1235 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,0,1,0,1,0|0,0,0]=2 1236 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,0,1,0,1,0|1,0,0]=3 1237 B11R1.35 C[C@H](OC1CCCC1)C(=O)[O-] 7a_217856618621_100000179811 [0,0,1,0,1,0|1,0,1]=4 1238 B11R1.35 NC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813875 [0,0,1,0,1,0|2,0,0]=4 1239 B11R1.35 NC(=O)C(F)NC1CCCC1 34a_100000211070_100009813875 [0,0,1,0,1,0|2,0,0]=4 1240 B11R1.35 O=C([O-])C(F)NC1CCCC1 34a_100000211070_100020610796 [0,0,1,0,1,0|1,0,1]=4 1241 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,0,1,0,1,0|1,0,0]=3 1242 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,0,1,0,1,0|2,0,0]=4 1243 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,0,1,0,1,0|2,0,0]=4 1244 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,0,1,0,1,0|2,0,0]=4 1245 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,0,1,0,1,0|2,0,0]=4 1246 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,0,1,0,1,0|2,0,0]=4 1247 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,0,1,0,1,0|1,0,0]=3 1248 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,0,1,0,1,0|2,0,0]=4 1249 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,1,0,1,0|2,0,0]=4 1250 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,1,0,1,0|1,0,0]=3 1251 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,1,0,1,0|1,0,0]=3 1252 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,1,0,1,0|1,0,0]=3 1253 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,1,0,1,0|1,0,0]=3 1254 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,1,0,1,0|2,0,0]=4 1255 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,1,0,1,0|2,0,0]=4 1256 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,1,0,1,0|2,0,0]=4 1257 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,1,0,1,0|2,0,0]=4 1258 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,1,0,1,0|2,0,0]=4 1259 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,1,0,1,0|2,0,0]=4 1260 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,0,1,0,1,0|2,0,0]=4 1261 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,0,1,0,1,0|2,0,0]=4 1262 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,0,1,0,1,0|2,0,0]=4 1263 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,0,1,0,1,0|1,0,1]=4 1264 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,0,1,0,1,0|1,0,1]=4 1265 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,0,1,0,1,0|2,0,0]=4 1266 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,0,1,0,1,0|2,0,0]=4 1267 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,0,1,0,1,0|2,0,0]=4 1268 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,0,1,0,1,0|2,0,0]=4 1269 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,0,1,0,1,0|2,0,0]=4 1270 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,0,1,0,1,0|2,0,0]=4 1271 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,0,1,0,1,0|1,0,1]=4 1272 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,0,1,0,1,0|2,0,0]=4 1273 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,0,1,0,1,0|2,0,0]=4 1274 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,0,1,0,1,0|1,0,1]=4 1275 B11R1.90 NC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000187820 [0,0,1,0,1,0|2,0,0]=4 1276 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,0,1,0,1,0|1,0,1]=4 1277 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,1,0,1,0|1,0,1]=4 1278 B11R1.90 O=C(O)CNC1COCC1O 269956a_100016091260_200000725654 [0,0,1,0,1,0|2,0,0]=4 1279 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,0,1,0,1,0|1,0,0]=3 1280 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,1,0,1,0|1,0,0]=3 1281 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,0,1,0,1,0|2,0,0]=4 1282 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,0,1,0,1,0|2,0,0]=4 1283 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,0,1,0,1,0|2,0,0]=4 1284 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,0,1,0,1,0|2,0,0]=4 1285 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,0,1,0,1,0|2,0,0]=4 1286 B11R1.211 CCCCN1CC(C1)C(=O)N 34a_100025753142_100000210210 [0,0,1,0,1,0|2,0,0]=4 1287 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,0,1,0,1,0|1,0,0]=3 1288 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,0,1,0,1,0|2,0,0]=4 1289 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [0,0,1,0,1,0|2,0,0]=4 1290 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,0,1,0,1,0|2,0,0]=4 1291 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,0,1,0,1,0|2,0,0]=4 1292 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,1,0,1,0|2,0,0]=4 1293 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,1,0,1,0|2,0,0]=4 1294 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,1,0,1,0|2,0,0]=4 1295 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,1,0,1,0|2,0,0]=4 1296 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,0,2,0|1,0,0]=3 1297 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,0,2,0|1,0,0]=3 1298 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,0,1,0,0,1|2,0,0]=4 1299 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,0,1,0,0,1|2,0,0]=4 1300 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,0,1,0,0,1|2,0,0]=4 1301 B13R1.351 C=C(C)C(C)NCC1CCCCC1 269862a_100000210473_100011216138 [0,0,1,0,0,1|2,0,0]=4 1302 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,0,1,0,0,1|2,0,0]=4 1303 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,0,1,0,0,1|2,0,0]=4 1304 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,0,1,0,0,1|1,0,0]=3 1305 B13R1.351 CC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100009814033 [0,0,1,0,0,1|2,0,0]=4 1306 B13R1.351 CC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100009814033 [0,0,1,0,0,1|2,0,0]=4 1307 B13R1.351 CC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100009814033 [0,0,1,0,0,1|2,0,0]=4 1308 B13R1.351 CC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100009814033 [0,0,1,0,0,1|2,0,0]=4 1309 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,0,1,0,0,1|2,0,0]=4 1310 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,0,1,0,0,1|2,0,0]=4 1311 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,0,1,0,0,1|2,0,0]=4 1312 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,0,1,0,0,1|2,0,0]=4 1313 B13R1.351 CC(CNC1C=CCCC1)C(=O)O 269956a_100000749485_100000751183 [0,0,1,0,0,1|0,0,2]=4 1314 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,0,1,0,0,1|0,0,0]=2 1315 B13R1.351 CC(CNC1CCCOC1)C(=O)O 269956a_100000749485_100000693364 [0,0,1,0,0,1|1,0,0]=3 1316 B13R1.351 CC(CNC1CCOCC1)C(=O)O 269956a_100000749485_100011324220 [0,0,1,0,0,1|1,0,0]=3 1317 B13R1.351 CC(CNC1CCSCC1)C(=O)O 269956a_100000749485_100000069128 [0,0,1,0,0,1|1,0,0]=3 1318 B13R1.351 CC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702099 [0,0,1,0,0,1|1,0,0]=3 1319 B13R1.351 CC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702099 [0,0,1,0,0,1|1,0,0]=3 1320 B13R1.351 CC(NCC1CCCCO1)C(=O)N 2230a_100000174945_100000702099 [0,0,1,0,0,1|2,0,0]=4 1321 B13R1.351 CC(NCC1CCCCO1)C(=O)N 34a_100000174945_100000702099 [0,0,1,0,0,1|2,0,0]=4 1322 B13R1.351 CC(NCC1CCCOC1)C(=O)N 2230a_100000720124_100000702099 [0,0,1,0,0,1|2,0,0]=4 1323 B13R1.351 CC(NCC1CCCOC1)C(=O)N 34a_100000720124_100000702099 [0,0,1,0,0,1|2,0,0]=4 1324 B13R1.351 CC(NCC1CCOCC1)C(=O)N 2230a_100000746373_100000702099 [0,0,1,0,0,1|2,0,0]=4 1325 B13R1.351 CC(NCC1CCOCC1)C(=O)N 34a_100000746373_100000702099 [0,0,1,0,0,1|2,0,0]=4 1326 B13R1.351 CC(NCC1CCSCC1)C(=O)N 2230a_100015188806_100000702099 [0,0,1,0,0,1|2,0,0]=4 1327 B13R1.351 CC(NCC1CCSCC1)C(=O)N 34a_100015188806_100000702099 [0,0,1,0,0,1|2,0,0]=4 1328 B13R1.351 CC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702099 [0,0,1,0,0,1|2,0,0]=4 1329 B13R1.351 CC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702099 [0,0,1,0,0,1|2,0,0]=4 1330 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702099 [0,0,1,0,0,1|2,0,0]=4 1331 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000702099_100000211423 [0,0,1,0,0,1|2,0,0]=4 1332 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 2230a_100000119354_100000211423 [0,0,1,0,0,1|1,0,0]=3 1333 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 34a_100000119354_100000211423 [0,0,1,0,0,1|1,0,0]=3 1334 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 2230a_100000119354_100000211543 [0,0,1,0,0,1|2,0,0]=4 1335 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 34a_100000119354_100000211543 [0,0,1,0,0,1|2,0,0]=4 1336 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 2230a_100000119354_100000741521 [0,0,1,0,0,1|2,0,0]=4 1337 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 34a_100000119354_100000741521 [0,0,1,0,0,1|2,0,0]=4 1338 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 2230a_100000119354_100000754603 [0,0,1,0,0,1|2,0,0]=4 1339 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 34a_100000119354_100000754603 [0,0,1,0,0,1|2,0,0]=4 1340 B13R1.351 C[C@@H](NCC1CCSCC1)C(=O)N 270004a_100000119354_100000067145 [0,0,1,0,0,1|2,0,0]=4 1341 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 34a_100000731257_100000211423 [0,0,1,0,0,1|2,0,0]=4 1342 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 7a_100000731257_100000211423 [0,0,1,0,0,1|2,0,0]=4 1343 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,0,1,0,0,1|0,0,0]=2 1344 B13R1.351 C[C@H](NCC1CCCCO1)C(=O)O 269956a_100000743915_100000211543 [0,0,1,0,0,1|1,0,0]=3 1345 B13R1.351 C[C@H](NCC1CCCOC1)C(=O)O 269956a_100000743915_100000741521 [0,0,1,0,0,1|1,0,0]=3 1346 B13R1.351 C[C@H](NCC1CCOCC1)C(=O)O 269956a_100000743915_100000754603 [0,0,1,0,0,1|1,0,0]=3 1347 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)[O-] 7a_217856618621_100000211423 [0,0,1,0,0,1|1,0,1]=4 1348 B13R1.351 NC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813875 [0,0,1,0,0,1|2,0,0]=4 1349 B13R1.351 NC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813875 [0,0,1,0,0,1|2,0,0]=4 1350 B13R1.351 NC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813875 [0,0,1,0,0,1|2,0,0]=4 1351 B13R1.351 NC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813875 [0,0,1,0,0,1|2,0,0]=4 1352 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813875 [0,0,1,0,0,1|2,0,0]=4 1353 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100009813875_100000211423 [0,0,1,0,0,1|2,0,0]=4 1354 B13R1.351 NC(=O)[C@@H](N)COC1CCCCC1 34a_100000729942_100000210327 [0,0,1,0,0,1|1,0,0]=3 1355 B13R1.351 NC(=O)[C@@H](N)COC1CCCOC1 34a_100000729942_100000693364 [0,0,1,0,0,1|2,0,0]=4 1356 B13R1.351 NC(=O)[C@@H](N)COC1CCSCC1 34a_100000729942_100000069128 [0,0,1,0,0,1|2,0,0]=4 1357 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,0,1,0,0,1|1,0,0]=3 1358 B13R1.351 O=C(O)C(F)CNC1CCCOC1 269956a_100000084737_100000693364 [0,0,1,0,0,1|2,0,0]=4 1359 B13R1.351 O=C(O)C(F)CNC1CCOCC1 269956a_100000084737_100011324220 [0,0,1,0,0,1|2,0,0]=4 1360 B13R1.351 O=C(O)C(F)CNC1CCSCC1 269956a_100000084737_100000069128 [0,0,1,0,0,1|2,0,0]=4 1361 B13R1.351 O=C([O-])C(F)NCC1CCCCC1 34a_100000210473_100020610796 [0,0,1,0,0,1|1,0,1]=4 1362 B13R1.351 O=C([O-])C(F)OCC1CCCCC1 34a_100000212181_100020610796 [0,0,1,0,0,1|1,0,1]=4 1363 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100000211423_100020610796 [0,0,1,0,0,1|1,0,1]=4 1364 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100020610796_100000211423 [0,0,1,0,0,1|1,0,1]=4 1365 B13R1.6192 C=C(C)C(C)NC1CCCCCC1 269862a_100000210984_100011216138 [0,0,1,0,0,1|2,0,0]=4 1366 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,0,1,0,0,1|1,0,0]=3 1367 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,0,1,0,0,1|2,0,0]=4 1368 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,0,1,0,0,1|2,0,0]=4 1369 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,0,1,0,0,1|2,0,0]=4 1370 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,0,1,0,0,1|2,0,0]=4 1371 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,0,1,0,0,1|1,0,0]=3 1372 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,0,1,0,0,1|1,0,0]=3 1373 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,0,1,0,0,1|2,0,0]=4 1374 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,0,1,0,0,1|2,0,0]=4 1375 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,0,1,0,0,1|2,0,0]=4 1376 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,0,1,0,0,1|2,0,0]=4 1377 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,0,1,0,0,1|1,0,0]=3 1378 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,0,1,0,0,1|1,0,0]=3 1379 B13R1.6192 C[C@@H](NC1CCCNCC1)C(=O)N 270004a_100000119354_100015187895 [0,0,1,0,0,1|1,0,0]=3 1380 B13R1.6192 C[C@@H](NC1CSCCSC1)C(=O)N 270004a_100000119354_100000068409 [0,0,1,0,0,1|2,0,0]=4 1381 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,0,1,0,0,1|2,0,0]=4 1382 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,0,1,0,0,1|0,0,0]=2 1383 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,0,1,0,0,1|2,0,0]=4 1384 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,0,1,0,0,1|2,0,0]=4 1385 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,0,1,0,0,1|1,0,1]=4 1386 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,0,1,0,0,1|2,0,0]=4 1387 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,0,1,0,0,1|2,0,0]=4 1388 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000730704 [0,0,1,0,0,1|2,0,0]=4 1389 B13R1.158 CC(=CCNC1CCCCC1C)C 2230a_100000211402_100000761012 [0,0,1,0,0,1|2,0,0]=4 1390 B13R1.158 CC(=CCNC1CCCCC1C)C 270004a_100000718196_100000210921 [0,0,1,0,0,1|2,0,0]=4 1391 B13R1.158 CC(=CCNC1CCCCC1C)C 34a_100000211402_100000761012 [0,0,1,0,0,1|2,0,0]=4 1392 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,0,1,0,0,1|2,0,0]=4 1393 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,0,1,0,0,1|2,0,0]=4 1394 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,0,1,0,0,1|2,0,0]=4 1395 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,0,1,0,0,1|2,0,0]=4 1396 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,0,1,0,0,1|2,0,0]=4 1397 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,0,1,0,0,1|2,0,0]=4 1398 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,0,1,0,0,1|2,0,0]=4 1399 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,0,1,0,0,1|2,0,0]=4 1400 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,0,1,0,0,1|2,0,0]=4 1401 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,0,1,0,0,1|1,0,0]=3 1402 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813279 [0,0,1,0,0,1|2,0,0]=4 1403 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,0,1,0,0,1|2,0,0]=4 1404 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009813279 [0,0,1,0,0,1|2,0,0]=4 1405 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,0,1,0,0,1|1,0,1]=4 1406 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,0,1,0,0,1|1,0,1]=4 1407 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,0,1,0,0,1|1,0,1]=4 1408 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,0,1,0,0,1|1,0,1]=4 1409 B13R1.158 CC(O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100012276601 [0,0,1,0,0,1|1,0,1]=4 1410 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,0,1,0,0,1|1,0,0]=3 1411 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,0,1,0,0,1|1,0,0]=3 1412 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,0,1,0,0,1|1,0,0]=3 1413 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,0,1,0,0,1|2,0,0]=4 1414 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,0,1,0,0,1|2,0,0]=4 1415 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,0,1,0,0,1|2,0,0]=4 1416 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,1,0,0,1|1,0,0]=3 1417 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,0,1,0,0,1|1,0,1]=4 1418 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,0,1,0,0,1|2,0,0]=4 1419 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,0,1,0,0,1|2,0,0]=4 1420 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,0,1,0,0,1|2,0,0]=4 1421 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,0,1,0,0,1|2,0,0]=4 1422 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,0,1,0,0,1|2,0,0]=4 1423 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,0,1,0,0,1|2,0,0]=4 1424 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,0,1,0,0,1|2,0,0]=4 1425 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,0,1,0,0,1|2,0,0]=4 1426 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,0,1,0,0,1|1,0,0]=3 1427 B13R1.158 NC(=O)CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000731001 [0,0,1,0,0,1|2,0,0]=4 1428 B13R1.158 NC(=O)CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000731001 [0,0,1,0,0,1|2,0,0]=4 1429 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,0,1,0,0,1|2,0,0]=4 1430 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,0,1,0,0,1|2,0,0]=4 1431 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,0,1,0,0,1|2,0,0]=4 1432 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,0,1,0,0,1|2,0,0]=4 1433 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,0,1,0,0,1|2,0,0]=4 1434 B13R1.158 NC(=O)COCC1COCCC1N 34a_214813039666_100000187820 [0,0,1,0,0,1|2,0,0]=4 1435 B13R1.158 NC1CCOCC1COCC(=O)[O-] 34a_214813039666_100020667443 [0,0,1,0,0,1|1,0,1]=4 1436 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [0,0,1,0,0,1|1,0,1]=4 1437 B13R1.158 O=C(O)CONC1CCCCC1F 269956a_100000106656_100015423560 [0,0,1,0,0,1|1,0,0]=3 1438 B13R1.158 O=C(O)CONC1CCCCC1O 269956a_100000106656_100000038908 [0,0,1,0,0,1|1,0,0]=3 1439 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,0,1,0,0,1|1,0,1]=4 1440 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,0,1,0,0,1|1,0,1]=4 1441 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,0,1,0,0,1|1,0,1]=4 1442 B13R1.74 CCCCC1CCC(CC1)C(=O)C 1458a_100000183790_200000210301 [0,0,1,0,0,1|2,0,0]=4 1443 B13R1.74 CCCCC1CCC(CC1)C(=O)[13CH3] 1458a_100000183790_200025704644 [0,0,1,0,0,1|2,0,0]=4 1444 B13R1.74 CCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210211 [0,0,1,0,0,1|2,0,0]=4 1445 B13R1.74 CCCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210207 [0,0,1,0,0,1|2,0,0]=4 1446 B13R1.74 CCNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100000210202 [0,0,1,0,0,1|2,0,0]=4 1447 B13R1.498 CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210211 [0,0,1,0,0,1|2,0,0]=4 1448 B13R1.568 CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210207 [0,0,1,0,0,1|2,0,0]=4