0 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,0|2,0,1]=3 47 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,0,0|3,0,0]=4 138 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|1,0,2]=4 152 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,0|1,0,2]=4 153 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|1,0,2]=4 154 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|1,0,2]=4 155 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|1,0,0]=2 157 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|1,0,0]=2 158 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 166 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 167 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|2,0,0]=3 168 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,0|3,0,0]=4 172 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,0|3,0,0]=4 173 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|1,0,0]=2 175 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,0,0|3,0,0]=4 176 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,0,0|3,0,0]=4 177 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,0,0|3,0,0]=4 179 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,0|2,0,0]=3 182 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,0|2,0,0]=3 183 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,0|2,0,0]=3 184 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,0|1,0,1]=3 186 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,0|2,0,0]=3 190 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,0|1,0,1]=3 192 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,0|2,0,0]=3 195 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,0|2,0,0]=3 196 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,0|2,0,0]=3 197 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,0|1,0,1]=3 198 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,0|1,0,1]=3 199 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,0,0|2,0,1]=4 200 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,0|2,0,0]=3 215 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,0|2,0,0]=3 216 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,1,0,0,0,0|3,0,0]=4 221 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.11 CC(C)NC(F)(F)C(=O)[O-] 34a_100138425928_100020612412 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,1,0,0,0,0|3,0,0]=4 229 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,1,0,0,0,0|3,0,0]=4 231 B9R0.11 CC(C)OC(F)(F)C(=O)[O-] 34a_100000212225_100020612412 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100000210206_100009811971 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100009811971_100000210206 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000210206_100000745680 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000745680_100000210206 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.11 CN(C)CC(C)(C)C(=O)N 269982a_100102631434_200009895572 [0,1,0,0,0,0|3,0,0]=4 239 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,1,0,0,0,0|2,0,0]=3 240 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,0,0|2,0,0]=3 241 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [0,1,0,0,0,0|3,0,0]=4 242 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [0,1,0,0,0,0|3,0,0]=4 243 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,0|1,0,0]=2 244 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,1,0,0,0,0|2,0,0]=3 247 B9R0.23 CC(C)OC(C)C(=O)NN 34a_100000725659_100000210206 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [0,1,0,0,0,0|3,0,0]=4 249 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,1,0,0,0,0|3,0,0]=4 250 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,1,0,0,0,0|3,0,0]=4 253 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,0,0,0,0|3,0,0]=4 254 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,0,0,0,0|3,0,0]=4 255 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,0,0,0,0|3,0,0]=4 256 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,0,0|2,0,0]=3 261 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,0|2,0,1]=4 262 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,1,0,0,0,0|3,0,0]=4 264 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,1,0,0,0,0|3,0,0]=4 265 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,1,0,0,0,0|3,0,0]=4 266 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,1,0,0,0,0|3,0,0]=4 268 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,1,0,0,0,0|3,0,0]=4 269 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,1,0,0,0,0|3,0,0]=4 270 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,1,0,0,0,0|3,0,0]=4 271 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,1,0,0,0,0|3,0,0]=4 272 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,1,0,0,0,0|3,0,0]=4 273 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,1,0,0,0,0|3,0,0]=4 275 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,1,0,0,0,0|3,0,0]=4 276 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,1,0,0,0,0|2,0,0]=3 279 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,1,0,0,0,0|2,0,0]=3 280 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,0|2,0,0]=3 285 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,0|2,0,0]=3 286 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,0|2,0,0]=3 287 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,0|2,0,0]=3 288 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,0|2,0,0]=3 289 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,0,0|1,0,0]=2 293 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,0,0|1,0,0]=2 294 B9R0.39 CC(C)NC(C#N)C(=O)N 2230a_100000039599_100000210206 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,0|2,0,0]=3 296 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,1,0,0,0,0|3,0,0]=4 297 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,1,0,0,0,0|3,0,0]=4 304 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,1,0,0,0,0|3,0,0]=4 305 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 306 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 307 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 308 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,0,0|1,0,0]=2 311 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,0,0|1,0,0]=2 312 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,0|3,0,0]=4 320 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,0|2,0,1]=4 323 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,0|3,0,0]=4 324 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,0|3,0,0]=4 325 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,1,0,0,0,0|3,0,0]=4 326 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,1,0,0,0,0|3,0,0]=4 327 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 329 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 330 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 333 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 335 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,0|3,0,0]=4 337 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,0|3,0,0]=4 340 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,0|3,0,0]=4 341 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,0|3,0,0]=4 342 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 343 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 344 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 345 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|3,0,0]=4 346 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|3,0,0]=4 347 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|3,0,0]=4 348 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,0|3,0,0]=4 349 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|2,0,0]=3 350 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|3,0,0]=4 351 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|3,0,0]=4 352 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|3,0,0]=4 354 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,0|3,0,0]=4 355 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,0|2,0,1]=4 357 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|3,0,0]=4 360 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|3,0,0]=4 361 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,0|3,0,0]=4 362 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,0|3,0,0]=4 363 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,0|2,0,1]=4 366 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,0|2,0,1]=4 367 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|2,0,0]=3 370 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,0|3,0,0]=4 371 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,0|3,0,0]=4 372 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,0|3,0,0]=4 373 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,0|3,0,0]=4 374 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,1,0,0,0,0|3,0,0]=4 375 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,1,0,0,0,0|3,0,0]=4 376 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,1,0,0,0,0|2,0,1]=4 377 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,0|3,0,0]=4 379 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|2,0,0]=3 380 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,0|3,0,0]=4 381 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,0|3,0,0]=4 382 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,0|2,0,1]=4 383 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,0|2,0,1]=4 384 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,1,0,0,0,0|3,0,0]=4 386 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,1,0,0,0,0|3,0,0]=4 387 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,1,0,0,0,0|3,0,0]=4 388 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 391 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 392 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,1,0,0,0,0|3,0,0]=4 393 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,1,0,0,0,0|3,0,0]=4 395 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,1,0,0,0,0|3,0,0]=4 396 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,1,0,0,0,0|3,0,0]=4 397 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,1,0,0,0,0|3,0,0]=4 398 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,1,0,0,0,0|3,0,0]=4 399 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,1,0,0,0,0|2,0,1]=4 400 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,1,0,0,0,0|3,0,0]=4 401 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,1,0,0,0,0|3,0,0]=4 402 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,1,0,0,0,0|2,0,1]=4 403 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,1,0,0,0,0|2,0,1]=4 404 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,0|3,0,0]=4 405 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,1,0,0,0,0|3,0,0]=4 407 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,1,0,0,0,0|3,0,0]=4 408 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,1,0,0,0,0|3,0,0]=4 409 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,0|3,0,0]=4 410 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,1,0,0,0,0|3,0,0]=4 411 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,0|2,0,0]=3 412 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,0,0|2,0,1]=4 413 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,0,0|2,0,1]=4 414 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,0|3,0,0]=4 415 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 416 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 417 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 418 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|3,0,0]=4 419 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,1,0,0,0,0|2,0,1]=4 420 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,1,0,0,0,0|2,0,1]=4 421 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,1,0,0,0,0|1,0,2]=4 422 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,0|3,0,0]=4 423 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|2,0,0]=3 424 B9R0.79 CC(C)N(C)C(F)C(=O)N 269982a_200000211004_100009813875 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|3,0,0]=4 426 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|3,0,0]=4 427 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 428 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 429 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|3,0,0]=4 430 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 431 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 432 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 433 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|3,0,0]=4 434 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|3,0,0]=4 435 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 436 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 437 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 438 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,1,0,0|3,0,0]=4 439 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,0,0,1,0,0|3,0,0]=4 440 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,0,0,1,0,0|3,0,0]=4 441 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,0,0,1,0,0|3,0,0]=4 442 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,0|3,0,0]=4 443 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,0|3,0,0]=4 444 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 445 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 446 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 447 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|3,0,0]=4 448 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,0|3,0,0]=4 449 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,0,1,0,0|3,0,0]=4 450 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,0|3,0,0]=4 451 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,0,1,0,0|3,0,0]=4 452 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|2,0,0]=3 453 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,0,0,1,0,0|3,0,0]=4 454 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,0,0,1,0,0|3,0,0]=4 455 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,0,0,1,0,0|2,0,1]=4 456 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,0,0,1,0,0|2,0,1]=4 457 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,0|2,0,0]=3 458 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 459 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 460 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 461 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,0,0,1,0,0|3,0,0]=4 462 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,0,0,1,0,0|3,0,0]=4 463 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,0|2,0,0]=3 464 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,0,0,1,0,0|3,0,0]=4 465 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,1,0|2,0,0]=3 466 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,1,0|3,0,0]=4 467 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,1,0|3,0,0]=4 468 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 469 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 470 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 471 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,1,0|3,0,0]=4 472 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,1,0|3,0,0]=4 473 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,1,0|2,0,0]=3 474 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,1,0|3,0,0]=4 475 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,1,0|3,0,0]=4 476 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,1,0|2,0,0]=3 477 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,1,0|2,0,0]=3 478 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,1,0|2,0,0]=3 479 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,1,0|2,0,0]=3 480 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,0,0,0,1,0|3,0,0]=4 481 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,0,0,0,1,0|3,0,0]=4 482 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,1,0|3,0,0]=4 483 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,0,0,0,0,1|3,0,0]=4 484 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,1|1,0,2]=4 485 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,0,1|2,0,1]=4 486 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,0,1|2,0,1]=4 487 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,0,1|2,0,1]=4 488 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,0,1|2,0,1]=4 489 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,0,1|2,0,1]=4 490 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,1|2,0,0]=3 491 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,0,1|2,0,0]=3 492 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,0,1|2,0,0]=3 493 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,1|2,0,0]=3 494 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,0,0,0,1|3,0,0]=4 495 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,0,1|2,0,0]=3 496 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,0,0,0,1|3,0,0]=4 497 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,0,0,0,1|3,0,0]=4 498 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,0,1|2,0,0]=3 499 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,0,1|2,0,0]=3 500 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,0,0,0,1|3,0,0]=4 501 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,0,0,0,1|3,0,0]=4 502 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,0,0,0,1|3,0,0]=4 503 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,0,0,0,1|3,0,0]=4 504 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 505 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 506 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 507 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,0,1|3,0,0]=4 508 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,0,0,0,0,1|3,0,0]=4 509 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,0,0,0,0,1|3,0,0]=4 510 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,0,0,0,0,1|2,0,1]=4 511 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,0,1|2,0,1]=4 512 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,0,1|2,0,1]=4 513 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,1|2,0,0]=3 514 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,1|2,0,0]=3 515 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,0,0,0,0,1|2,0,0]=3 516 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,0,0,0,0,1|2,0,0]=3 517 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,0,0,0,0,1|1,0,1]=3 518 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,1|1,0,0]=2 519 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,1|2,0,0]=3 520 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,1|2,0,0]=3 521 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,1|2,0,0]=3 522 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,0,1|2,0,0]=3 523 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,0,0,0,0,1|2,0,0]=3 524 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,0,0,0,0,1|1,0,1]=3 525 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,0,1|1,0,1]=3 526 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,0,1|2,0,0]=3 527 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,0,1|2,0,0]=3 528 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,0,0,0,1|2,0,0]=3 529 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,0,0,0,1|2,0,0]=3 530 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,0,0,0,0,1|2,0,0]=3 531 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,0,0,0,0,1|2,0,0]=3 532 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,0,0,0,0,1|1,0,1]=3 533 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,0,0,0,0,1|1,0,1]=3 534 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,1|1,0,0]=2 535 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,1|1,0,0]=2 536 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [0,0,0,0,0,1|2,0,1]=4 537 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [0,0,0,0,0,1|2,0,1]=4 538 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,1|1,0,0]=2 539 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,0,0,0,0,1|2,0,1]=4 540 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,0,0,0,0,1|3,0,0]=4 541 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,0,0,0,0,1|3,0,0]=4 542 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,0,0,0,0,1|2,0,1]=4 543 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,0,0,0,0,1|3,0,0]=4 544 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,0,0,0,0,1|3,0,0]=4 545 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,0,0,0,0,1|3,0,0]=4 546 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,0,0,0,0,1|3,0,0]=4 547 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,0,0,0,0,1|2,0,1]=4 548 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,1|2,0,0]=3 549 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,0,0,0,0,1|3,0,0]=4 550 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,0,0,0,0,1|3,0,0]=4 551 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,0,0,0,0,1|2,0,1]=4 552 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,0,0,0,0,1|3,0,0]=4 553 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,0,0,0,0,1|3,0,0]=4 554 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,0,0,0,0,1|3,0,0]=4 555 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,0,0,0,0,1|3,0,0]=4 556 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,0,0,0,0,1|3,0,0]=4 557 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,0,0,0,0,1|3,0,0]=4 558 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,0,0,0,0,1|2,0,1]=4 559 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,0,0,0,0,1|2,0,1]=4 560 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,0,0,0,0,1|3,0,0]=4 561 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,0,0,0,0,1|3,0,0]=4 562 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,0,0,0,0,1|3,0,0]=4 563 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,0,0,0,0,1|3,0,0]=4 564 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,0,0,0,0,1|3,0,0]=4 565 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,0,0,0,0,1|2,0,1]=4 566 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,0,0,0,0,1|3,0,0]=4 567 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,0,0,0,0,1|2,0,1]=4 568 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,0,0,0,0,1|3,0,0]=4 569 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,0,0,0,0,1|3,0,0]=4 570 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,0,0,0,0,1|3,0,0]=4 571 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,0,0,0,0,1|3,0,0]=4 572 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,0,0,0,0,1|3,0,0]=4 573 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,0,0,0,0,1|3,0,0]=4 574 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,0,0,0,0,1|2,0,1]=4 575 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,0,0,0,0,1|2,0,1]=4 576 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,0,0,0,0,1|3,0,0]=4 577 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,1|2,0,0]=3 578 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,0,0,0,0,1|2,0,1]=4 579 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,1|2,0,0]=3 580 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,1|2,0,0]=3 581 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,1|2,0,0]=3 582 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,1|2,0,0]=3 583 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,0,0,0,0,1|3,0,0]=4 584 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,0,0,0,0,1|3,0,0]=4 585 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,0,0,0,0,1|3,0,0]=4 586 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,0,0,0,0,1|3,0,0]=4 587 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,0,0,0,0,1|3,0,0]=4 588 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,0,1|2,0,1]=4 589 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,0,1|2,0,1]=4 590 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,0,1|1,0,2]=4 591 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,0,0,0,0,1|3,0,0]=4 592 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,0,0,0,0,1|3,0,0]=4 593 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,0,0,0,0,1|3,0,0]=4 594 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,0,0,0,0,1|3,0,0]=4 595 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,1|2,0,0]=3 596 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,0,0,0,0,1|2,0,1]=4 597 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,1|3,0,0]=4 598 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,1|3,0,0]=4 599 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|2,0,0]=4 600 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|2,0,0]=4 601 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,1]=4 602 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,1]=4 603 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,1]=4 604 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 605 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 606 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 607 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 608 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 609 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 610 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|1,0,1]=4 611 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|1,0,1]=4 612 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|1,0,1]=4 613 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|1,0,1]=4 614 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 615 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 616 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 617 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 618 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 619 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 620 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 621 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 622 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [2,0,0,0,0,0|2,0,0]=4 623 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [2,0,0,0,0,0|2,0,0]=4 624 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [2,0,0,0,0,0|2,0,0]=4 625 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [2,0,0,0,0,0|2,0,0]=4 626 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [2,0,0,0,0,0|2,0,0]=4 627 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [2,0,0,0,0,0|2,0,0]=4 628 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [2,0,0,0,0,0|2,0,0]=4 629 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 630 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 631 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 632 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 633 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 634 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 635 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|2,0,0]=4 638 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|2,0,0]=4 639 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,0]=3 640 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,0]=3 641 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [2,0,0,0,0,0|1,0,1]=4 642 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [2,0,0,0,0,0|1,0,1]=4 643 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [2,0,0,0,0,0|1,0,1]=4 644 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [2,0,0,0,0,0|1,0,1]=4 645 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,0]=3 646 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [2,0,0,0,0,0|1,0,1]=4 647 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,0]=3 648 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,0]=3 649 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [2,0,0,0,0,0|1,0,1]=4 650 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [2,0,0,0,0,0|1,0,1]=4 651 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 652 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 653 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 654 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 655 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 656 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 657 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 658 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 659 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 660 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 661 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 662 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 663 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 664 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 665 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 666 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 667 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 668 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 669 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 670 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 671 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 672 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 673 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [2,0,0,0,0,0|1,0,1]=4 674 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 675 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [2,0,0,0,0,0|1,0,1]=4 676 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 677 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 678 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 679 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 680 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 681 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 682 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|2,0,0]=4 683 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|2,0,0]=4 684 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|2,0,0]=4 685 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|2,0,0]=4 686 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 687 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 688 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 689 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 690 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 691 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 693 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 694 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 695 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 696 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|2,0,0]=4 697 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 698 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 699 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 700 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 701 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 702 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 703 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 704 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 705 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|2,0,0]=4 706 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|2,0,0]=4 707 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 708 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 709 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 710 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 711 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 712 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 713 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|2,0,0]=4 714 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|2,0,0]=4 715 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|2,0,0]=4 716 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 717 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 718 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 720 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 722 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|0,0,1]=3 723 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|0,0,1]=3 724 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [1,1,0,0,0,0|2,0,0]=4 725 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [1,1,0,0,0,0|2,0,0]=4 727 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B8R0.16 CC(C)CC(C#N)N[13CH3] 2230a_100000741378_200025704644 [1,1,0,0,0,0|1,0,1]=4 729 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [1,1,0,0,0,0|0,0,1]=3 730 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|0,0,1]=3 731 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [1,1,0,0,0,0|2,0,0]=4 732 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [1,1,0,0,0,0|2,0,0]=4 733 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [1,1,0,0,0,0|2,0,0]=4 734 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.16 CNC(C#N)CC(C)C 2230a_100000741378_200000210301 [1,1,0,0,0,0|1,0,1]=4 737 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [1,1,0,0,0,0|0,0,1]=3 738 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|0,0,1]=3 739 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|2,0,0]=4 740 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|2,0,0]=4 741 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|2,0,0]=4 742 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|2,0,0]=4 743 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|2,0,0]=4 744 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 745 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,0]=3 746 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|2,0,0]=4 747 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 748 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 749 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 751 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 754 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|2,0,0]=4 755 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 756 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 757 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 758 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 760 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 765 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 766 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 767 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 768 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,0]=3 769 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|2,0,0]=4 770 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 771 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 772 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 773 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [1,1,0,0,0,0|2,0,0]=4 775 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,0]=3 776 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 778 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|2,0,0]=4 779 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|2,0,0]=4 780 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|2,0,0]=4 782 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,0]=3 784 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 785 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 786 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 787 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 788 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 789 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 791 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 792 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 793 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 794 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 795 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 796 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 797 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 798 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 799 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|1,0,1]=4 800 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|1,0,1]=4 801 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,0]=3 802 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,0]=3 803 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 804 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 805 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|1,0,0]=3 806 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 807 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 808 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 809 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 810 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 811 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|2,0,0]=4 812 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,1,0,0,0,0|2,0,0]=4 813 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 814 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|2,0,0]=4 815 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|2,0,0]=4 816 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|2,0,0]=4 817 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [1,1,0,0,0,0|2,0,0]=4 820 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|2,0,0]=4 821 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|2,0,0]=4 822 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|2,0,0]=4 824 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 827 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 829 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 830 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,0]=2 831 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 832 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 833 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,0]=2 834 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|2,0,0]=4 835 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|2,0,0]=4 836 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,0]=3 837 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,0]=3 838 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,0]=3 839 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,0]=3 840 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,0]=3 841 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|1,0,0]=3 842 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|1,0,0]=3 843 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|2,0,0]=4 844 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [1,1,0,0,0,0|1,0,1]=4 845 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|0,0,2]=4 846 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,1,0,0,0,0|2,0,0]=4 847 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,0]=3 848 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|2,0,0]=4 849 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,1,0,0,0,0|2,0,0]=4 850 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,1,0,0,0,0|2,0,0]=4 851 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,1,0,0,0,0|1,0,1]=4 852 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,1,0,0,0,0|0,0,2]=4 853 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,1,0,0,0,0|2,0,0]=4 854 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 855 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 856 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [1,1,0,0,0,0|1,0,1]=4 857 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,0]=3 858 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|0,0,0]=2 859 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 860 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 861 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 862 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 863 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [1,1,0,0,0,0|2,0,0]=4 864 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [1,1,0,0,0,0|2,0,0]=4 865 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [1,1,0,0,0,0|2,0,0]=4 866 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [1,1,0,0,0,0|2,0,0]=4 867 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [1,1,0,0,0,0|1,0,1]=4 869 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 870 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 871 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,1,0,0,0,0|2,0,0]=4 872 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,1,0,0,0,0|2,0,0]=4 873 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 874 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,0]=3 875 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 876 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 877 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,0]=3 878 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,0]=3 879 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|2,0,0]=4 880 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|2,0,0]=4 881 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|2,0,0]=4 882 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|2,0,0]=4 883 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|2,0,0]=4 885 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|2,0,0]=4 886 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 887 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 888 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 889 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 890 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 891 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 892 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 893 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 894 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 895 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 896 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,1,0,0,0,0|2,0,0]=4 897 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,1,0,0,0,0|2,0,0]=4 898 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,0]=3 899 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 900 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,1,0,0,0,0|2,0,0]=4 901 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,1,0,0,0,0|2,0,0]=4 902 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,1,0,0,0,0|2,0,0]=4 903 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,1,0,0,0,0|1,0,1]=4 904 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,1,0,0,0,0|1,0,1]=4 905 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 907 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 908 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,1,0,0,0,0|2,0,0]=4 909 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 911 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 912 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 914 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 915 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 916 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 917 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|2,0,0]=4 918 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 919 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 921 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 922 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 923 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 924 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 925 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 926 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 927 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 928 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 929 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 930 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 931 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 932 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 933 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 934 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 935 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 936 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 937 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 938 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 939 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 940 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 941 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 942 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 943 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 944 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 945 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 946 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 947 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 948 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 949 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 950 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 951 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|2,0,0]=4 952 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 955 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,0]=3 956 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 957 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,0]=3 958 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 959 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 960 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,0]=3 961 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,0]=3 962 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,0]=3 963 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|1,0,0]=3 967 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [1,1,0,0,0,0|2,0,0]=4 968 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [1,1,0,0,0,0|1,0,1]=4 970 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [1,1,0,0,0,0|1,0,1]=4 971 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 972 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 973 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 974 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|2,0,0]=4 975 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,1,0,0,0,0|2,0,0]=4 976 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|1,0,0]=3 977 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,1,0,0,0,0|2,0,0]=4 978 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,1,0,0,0,0|2,0,0]=4 979 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,1,0,0,0,0|2,0,0]=4 982 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,1,0,0,0,0|1,0,0]=3 983 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,1,0,0,0,0|1,0,0]=3 984 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [1,1,0,0,0,0|2,0,0]=4 985 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [1,1,0,0,0,0|2,0,0]=4 986 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [1,1,0,0,0,0|1,1,0]=4 987 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [1,1,0,0,0,0|1,1,0]=4 988 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [1,1,0,0,0,0|2,0,0]=4 990 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 991 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 992 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 993 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 995 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 996 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 997 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [1,1,0,0,0,0|2,0,0]=4 998 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [1,1,0,0,0,0|2,0,0]=4 999 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,1,0,0,0,0|1,0,0]=3 1002 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,1,0,0,0,0|1,0,0]=3 1004 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [1,1,0,0,0,0|2,0,0]=4 1005 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [1,1,0,0,0,0|2,0,0]=4 1006 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [1,1,0,0,0,0|2,0,0]=4 1007 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [1,1,0,0,0,0|1,0,1]=4 1008 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [1,1,0,0,0,0|2,0,0]=4 1009 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [1,1,0,0,0,0|1,0,1]=4 1011 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [1,1,0,0,0,0|1,0,1]=4 1012 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [1,1,0,0,0,0|1,1,0]=4 1014 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,1,0|2,0,0]=4 1015 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,1,0|2,0,0]=4 1016 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,1,0|0,0,0]=2 1017 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,1,0|1,0,0]=3 1018 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,1,0|2,0,0]=4 1019 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,1,0|2,0,0]=4 1020 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,1,0|1,0,0]=3 1021 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,1,0|1,0,0]=3 1022 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,1,0|1,0,0]=3 1023 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,1,0|0,0,0]=2 1024 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,0,0,1,0|2,0,0]=4 1025 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,1,0|2,0,0]=4 1026 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,1,0|2,0,0]=4 1027 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,1,0|2,0,0]=4 1028 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,0,0,1,0|2,0,0]=4 1029 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,1,0|2,0,0]=4 1030 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,1,0|2,0,0]=4 1031 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,1,0,0,0,1|2,0,0]=4 1032 B10R0.13 CC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100009814033 [0,1,0,0,0,1|2,0,0]=4 1033 B10R0.13 CC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100009814033 [0,1,0,0,0,1|2,0,0]=4 1034 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,1,0,0,0,1|2,0,0]=4 1035 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,1,0,0,0,1|2,0,0]=4 1036 B10R0.13 CC(C)CC(=O)C(F)C(=O)N 1458a_100000210554_100009813875 [0,1,0,0,0,1|2,0,0]=4 1037 B10R0.13 CC(C)CC(=O)C(F)C(=O)[O-] 1458a_100000210554_100020610796 [0,1,0,0,0,1|1,0,1]=4 1038 B10R0.13 CC(C)CN(C)C(C)C(=O)N 2230a_100000747067_100000702099 [0,1,0,0,0,1|2,0,0]=4 1039 B10R0.13 CC(C)CN(C)C(C)C(=O)N 269982a_100000747067_100000184083 [0,1,0,0,0,1|2,0,0]=4 1040 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,1,0,0,0,1|1,0,0]=3 1041 B10R0.13 CC(C)CN(C)C(F)C(=O)N 2230a_100000747067_100009813875 [0,1,0,0,0,1|2,0,0]=4 1042 B10R0.13 CC(C)CN(C)C(F)C(=O)N 269982a_100000747067_100009813875 [0,1,0,0,0,1|2,0,0]=4 1043 B10R0.13 CC(C)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210206 [0,1,0,0,0,1|1,0,0]=3 1044 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,1,0,0,0,1|2,0,0]=4 1045 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,1,0,0,0,1|2,0,0]=4 1046 B10R0.43 CC(=O)C(C)(C)OCC(C)C 34a_100000747739_100000210624 [0,1,0,0,0,1|2,0,0]=4 1047 B10R0.43 CC(=O)C(C)(C)OCC(C)C 7a_100000747739_100000210760 [0,1,0,0,0,1|2,0,0]=4 1048 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000075568_100000210760 [0,1,0,0,0,1|2,0,0]=4 1049 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000210624_100000075568 [0,1,0,0,0,1|2,0,0]=4 1050 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000210953_100000702505 [0,1,0,0,0,1|2,0,0]=4 1051 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000210760 [0,1,0,0,0,1|2,0,0]=4 1052 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000210953_100000702505 [0,1,0,0,0,1|2,0,0]=4 1053 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000743658_100000210624 [0,1,0,0,0,1|2,0,0]=4 1054 B10R0.43 CC(C)CNC(F)(F)C(=O)[O-] 34a_100000210953_100020612412 [0,1,0,0,0,1|1,0,1]=4 1055 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100000210257_100000702505 [0,1,0,0,0,1|2,0,0]=4 1056 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100011626353_100000210624 [0,1,0,0,0,1|2,0,0]=4 1057 B10R0.43 CC(C)COC(C)(C)C(=O)N 7a_100011626353_100000210760 [0,1,0,0,0,1|2,0,0]=4 1058 B10R0.43 CC(C)COC(F)(F)C(=O)[O-] 34a_100000210257_100020612412 [0,1,0,0,0,1|1,0,1]=4 1059 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000210624_100000702505 [0,1,0,0,0,1|2,0,0]=4 1060 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000702505_100000210760 [0,1,0,0,0,1|2,0,0]=4 1061 B10R0.43 CC(C)CSC(F)(F)C(=O)N 62a_100000210624_100009811971 [0,1,0,0,0,1|2,0,0]=4 1062 B10R0.43 CC(C)CSC(F)(F)C(=O)N 62a_100009811971_100000210760 [0,1,0,0,0,1|2,0,0]=4 1063 B10R0.43 CC(C)CSC(F)(F)C(=O)[O-] 62a_100000210624_100000745680 [0,1,0,0,0,1|1,0,1]=4 1064 B10R0.43 CC(C)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000210760 [0,1,0,0,0,1|1,0,1]=4 1065 B10R0.43 CC(C)NCC(C)(C)C(=O)N 2230a_100000740840_100000210206 [0,1,0,0,0,1|2,0,0]=4 1066 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100000740840_100000210206 [0,1,0,0,0,1|2,0,0]=4 1067 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100138425928_200009895572 [0,1,0,0,0,1|2,0,0]=4 1068 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,1,0,0,0,1|1,0,0]=3 1069 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,1,0,0,0,1|1,0,0]=3 1070 B10R0.43 CC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000210206 [0,1,0,0,0,1|2,0,0]=4 1071 B10R0.43 CC(C)OCC(C)(C)C(=O)N 34a_100000212225_200009895572 [0,1,0,0,0,1|2,0,0]=4 1072 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_100000210206_200009895572 [0,1,0,0,0,1|2,0,0]=4 1073 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_200009895572_100000210206 [0,1,0,0,0,1|2,0,0]=4 1074 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,1,0,0,0,1|2,0,0]=4 1075 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,1,0,0,0,1|1,0,1]=4 1076 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,1,0,0,0,1|1,0,1]=4 1077 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,1,0,0,0,1|1,0,1]=4 1078 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,1,0,0,0,1|1,0,1]=4 1079 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,1,0,0,0,1|2,0,0]=4 1080 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,1|1,0,0]=3 1081 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,1,0,0,0,1|2,0,0]=4 1082 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,1,0,0,0,1|2,0,0]=4 1083 B10R0.57 CC(C)COC(C)C(=O)NN 34a_100000725659_100000210624 [0,1,0,0,0,1|2,0,0]=4 1084 B10R0.57 CC(C)OCC(N)C(=O)NN 34a_100016989258_100000210206 [0,1,0,0,0,1|1,0,0]=3 1085 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,1,0,0,0,1|2,0,0]=4 1086 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,1,0,0,0,1|2,0,0]=4 1087 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,1,0,0,0,1|2,0,0]=4 1088 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,1,0,0,0,1|2,0,0]=4 1089 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,1,0,0,0,1|2,0,0]=4 1090 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,1,0,0,0,1|2,0,0]=4 1091 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,1,0,0,0,1|2,0,0]=4 1092 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,1,0,0,0,1|2,0,0]=4 1093 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,1,0,0,0,1|2,0,0]=4 1094 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,1,0,0,0,1|2,0,0]=4 1095 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,1,0,0,0,1|2,0,0]=4 1096 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,1,0,0,0,1|2,0,0]=4 1097 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,1,0,0,0,1|2,0,0]=4 1098 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,1,0,0,0,1|2,0,0]=4 1099 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,1,0,0,0,1|2,0,0]=4 1100 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,1,0,0,0,1|2,0,0]=4 1101 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,1,0,0,0,1|2,0,0]=4 1102 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,1,0,0,0,1|2,0,0]=4 1103 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,1|1,0,1]=4 1104 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,1|1,0,1]=4 1105 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,1|1,0,1]=4 1106 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,1|1,0,1]=4 1107 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 1108 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 1109 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 1110 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 1111 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,1|2,0,0]=4 1112 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,1|2,0,0]=4 1113 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,1|1,0,0]=3 1114 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,1|1,0,0]=3 1115 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,1|1,0,0]=3 1116 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,1|1,0,0]=3 1117 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,1|1,0,0]=3 1118 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,1|1,0,0]=3 1119 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,1|1,0,0]=3 1120 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,1|1,0,0]=3 1121 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,1,0,0,0,1|2,0,0]=4 1122 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,1,0,0,0,1|2,0,0]=4 1123 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,1,0,0,0,1|2,0,0]=4 1124 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,1|1,0,0]=3 1125 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,1|1,0,0]=3 1126 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,1,0,0,0,1|2,0,0]=4 1127 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,1,0,0,0,1|2,0,0]=4 1128 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,1,0,0,0,1|2,0,0]=4 1129 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,1,0,0,0,1|2,0,0]=4 1130 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,1,0,0,0,1|2,0,0]=4 1131 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,1|1,0,0]=3 1132 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,1|1,0,0]=3 1133 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,1,0,0,0,1|2,0,0]=4 1134 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,1,0,0,0,1|2,0,0]=4 1135 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,1,0,0,0,1|2,0,0]=4 1136 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,1,0,0,0,1|2,0,0]=4 1137 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,1,0,0,0,1|1,0,0]=3 1138 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,1|0,0,0]=2 1139 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,1,0,0,0,1|1,0,1]=4 1140 B10R0.82 C#CC(C)NCC(F)C(=O)O 269956a_100000084737_200000035995 [0,1,0,0,0,1|1,0,1]=4 1141 B10R0.82 C#CC(C)OC[C@H](N)C(=O)N 34a_100000729942_200000035995 [0,1,0,0,0,1|1,0,1]=4 1142 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,1|1,0,1]=4 1143 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,1,0,0,0,1|1,0,1]=4 1144 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,1,0,0,0,1|2,0,0]=4 1145 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,1,0,0,0,1|2,0,0]=4 1146 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,1,0,0,0,1|2,0,0]=4 1147 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,1,0,0,0,1|2,0,0]=4 1148 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,1,0,0,0,1|2,0,0]=4 1149 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,1,0,0,0,1|1,0,1]=4 1150 B10R0.82 CC(C#N)NCC(F)C(=O)O 269956a_100000084737_100000184139 [0,1,0,0,0,1|1,0,1]=4 1151 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,1|2,0,0]=4 1152 B10R0.82 CC(CN)COC(F)C(=O)N 34a_100000744482_100009813875 [0,1,0,0,0,1|2,0,0]=4 1153 B10R0.82 CC(CN)COC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,1,0,0,0,1|1,0,1]=4 1154 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,1|1,0,0]=3 1155 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,1|2,0,0]=4 1156 B10R0.82 CC(CO)CNC(F)C(=O)N 34a_100000744482_100009813875 [0,1,0,0,0,1|2,0,0]=4 1157 B10R0.82 CC(CO)CNC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,1,0,0,0,1|1,0,1]=4 1158 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,1|1,0,0]=3 1159 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,1,0,0,0,1|2,0,0]=4 1160 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,1,0,0,0,1|2,0,0]=4 1161 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,1,0,0,0,1|2,0,0]=4 1162 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,1,0,0,0,1|2,0,0]=4 1163 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,1,0,0,0,1|2,0,0]=4 1164 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,1|1,0,0]=3 1165 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,1,0,0,0,1|2,0,0]=4 1166 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,1,0,0,0,1|2,0,0]=4 1167 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,1,0,0,0,1|2,0,0]=4 1168 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,1,0,0,0,1|2,0,0]=4 1169 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,1,0,0,0,1|1,0,1]=4 1170 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,1,0,0,0,1|2,0,0]=4 1171 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,1,0,0,0,1|2,0,0]=4 1172 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,1,0,0,0,1|2,0,0]=4 1173 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,1,0,0,0,1|2,0,0]=4 1174 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,1,0,0,0,1|2,0,0]=4 1175 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,1,0,0,0,1|2,0,0]=4 1176 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,1,0,0,0,1|2,0,0]=4 1177 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,1,0,0,0,1|2,0,0]=4 1178 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,1,0,0,0,1|1,0,1]=4 1179 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,1,0,0,0,1|1,0,1]=4 1180 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,1|1,0,0]=3 1181 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,1|1,0,0]=3 1182 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,0,0,0,1|2,0,0]=4 1183 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,0,0,0,1|2,0,0]=4 1184 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,1|1,0,0]=3 1185 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,1|2,0,0]=4 1186 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,1|1,0,0]=3 1187 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,1,0,0,0,1|2,0,0]=4 1188 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,1,0,0,0,1|2,0,0]=4 1189 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,1,0,0,0,1|2,0,0]=4 1190 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,1,0,0,0,1|2,0,0]=4 1191 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,1,0,0,0,1|2,0,0]=4 1192 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,1,0,0,0,1|2,0,0]=4 1193 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,1,0,0,0,1|1,0,1]=4 1194 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,1,0,0,0,1|2,0,0]=4 1195 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,1,0,0,0,1|2,0,0]=4 1196 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,1,0,0,0,1|2,0,0]=4 1197 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,1,0,0,0,1|2,0,0]=4 1198 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,1,0,0,0,1|2,0,0]=4 1199 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,1,0,0,0,1|2,0,0]=4 1200 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,1,0,0,0,1|2,0,0]=4 1201 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,1,0,0,0,1|2,0,0]=4 1202 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,1,0,0,0,1|1,0,1]=4 1203 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,1,0,0,0,1|1,0,1]=4 1204 B10R0.82 COC(C)COC(C)C(=O)N 34a_100000690652_100000702099 [0,1,0,0,0,1|2,0,0]=4 1205 B10R0.82 COC(C)COC(F)C(=O)N 34a_100000690652_100009813875 [0,1,0,0,0,1|2,0,0]=4 1206 B10R0.82 COC(C)COC(F)C(=O)[O-] 34a_100000690652_100020610796 [0,1,0,0,0,1|1,0,1]=4 1207 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,1|1,0,0]=3 1208 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,1|1,0,0]=3 1209 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,1,0,0,0,1|2,0,0]=4 1210 B10R0.82 CO[C@H](C)CNC(C)C(=O)N 2230a_100020591295_100000702099 [0,1,0,0,0,1|2,0,0]=4 1211 B10R0.82 CO[C@H](C)CNC(F)C(=O)N 2230a_100020591295_100009813875 [0,1,0,0,0,1|2,0,0]=4 1212 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,1|1,0,0]=3 1213 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,1,0,0,0,1|2,0,0]=4 1214 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,1,0,0,0,1|2,0,0]=4 1215 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,1,0,0,0,1|1,0,1]=4 1216 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,1,0,0,0,1|2,0,0]=4 1217 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,1,0,0,0,1|2,0,0]=4 1218 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100000059175_100009813875 [0,1,0,0,0,1|2,0,0]=4 1219 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100009813875_100000059175 [0,1,0,0,0,1|2,0,0]=4 1220 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100000059175_100020610796 [0,1,0,0,0,1|1,0,1]=4 1221 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100020610796_100000059175 [0,1,0,0,0,1|1,0,1]=4 1222 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,1|1,0,0]=3 1223 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,1|2,0,0]=4 1224 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,1|2,0,0]=4 1225 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,1|2,0,0]=4 1226 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,1,0,0,0,1|1,0,0]=3 1227 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,1,0,0,0,1|2,0,0]=4 1228 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,1,0,0,0,1|2,0,0]=4 1229 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,1|0,0,1]=3 1230 B10R0.84 CC(C)CNC(C#N)C(=O)N 2230a_100000039599_100000210760 [0,1,0,0,0,1|1,0,1]=4 1231 B10R0.84 CC(C)CNC(C#N)C(=O)N 270004a_100000039599_100000210432 [0,1,0,0,0,1|1,0,1]=4 1232 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,1|1,0,0]=3 1233 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,1,0,0,0,1|2,0,0]=4 1234 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,1,0,0,0,1|2,0,0]=4 1235 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,1|2,0,0]=4 1236 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,1,0,0,0,1|2,0,0]=4 1237 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,1,0,0,0,1|2,0,0]=4 1238 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,1,0,0,0,1|2,0,0]=4 1239 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,1,0,0,0,1|2,0,0]=4 1240 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,1,0,0,0,1|2,0,0]=4 1241 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,1,0,0,0,1|2,0,0]=4 1242 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,1,0,0,0,1|2,0,0]=4 1243 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,1,0,0,0,1|2,0,0]=4 1244 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,1|1,0,0]=3 1245 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,1,0,0,0,1|2,0,0]=4 1246 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,1,0,0,0,1|2,0,0]=4 1247 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,1|0,0,1]=3 1248 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,1,0,0,0,1|1,0,0]=3 1249 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,1|2,0,0]=4 1250 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,1|2,0,0]=4 1251 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,1,0,0,0,1|2,0,0]=4 1252 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,1,0,0,0,1|1,0,0]=3 1253 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,1,0,0,0,1|2,0,0]=4 1254 B10R0.92 CC(=O)C(C)NCC(C)(C)C 2230a_100000743828_100009814033 [0,1,0,0,0,1|2,0,0]=4 1255 B10R0.92 CC(=O)C(C)NCC(C)(C)F 2230a_100020643315_100009814033 [0,1,0,0,0,1|2,0,0]=4 1256 B10R0.92 CC(=O)C(C)NCC(C)(C)O 2230a_100000751335_100009814033 [0,1,0,0,0,1|2,0,0]=4 1257 B10R0.92 CC(=O)C(C)OCC(C)(C)C 34a_100000212229_100011219605 [0,1,0,0,0,1|2,0,0]=4 1258 B10R0.92 CC(=O)C(C)OCC(C)(C)F 34a_100000212229_100011997219 [0,1,0,0,0,1|2,0,0]=4 1259 B10R0.92 CC(=O)C(C)OCC(C)(C)O 34a_100000212229_100000764493 [0,1,0,0,0,1|2,0,0]=4 1260 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100009814033_100011219605 [0,1,0,0,0,1|2,0,0]=4 1261 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100011219605_100009814033 [0,1,0,0,0,1|2,0,0]=4 1262 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100009814033_100011997219 [0,1,0,0,0,1|2,0,0]=4 1263 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100011997219_100009814033 [0,1,0,0,0,1|2,0,0]=4 1264 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100000764493_100009814033 [0,1,0,0,0,1|2,0,0]=4 1265 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100009814033_100000764493 [0,1,0,0,0,1|2,0,0]=4 1266 B10R0.92 CC(C)(C)CNC(F)C(=O)N 2230a_100000743828_100009813875 [0,1,0,0,0,1|2,0,0]=4 1267 B10R0.92 CC(C)(C)CSC(F)C(=O)N 62a_100009813875_100011219605 [0,1,0,0,0,1|2,0,0]=4 1268 B10R0.92 CC(C)(C)CSC(F)C(=O)N 62a_100011219605_100009813875 [0,1,0,0,0,1|2,0,0]=4 1269 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100011219605_100020610796 [0,1,0,0,0,1|1,0,1]=4 1270 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100020610796_100011219605 [0,1,0,0,0,1|1,0,1]=4 1271 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,1,0,0,0,1|1,0,0]=3 1272 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210625 [0,1,0,0,0,1|1,0,0]=3 1273 B10R0.92 CC(C)(F)CNC(F)C(=O)N 2230a_100020643315_100009813875 [0,1,0,0,0,1|2,0,0]=4 1274 B10R0.92 CC(C)(F)COC(F)C(=O)N 34a_100000716592_100009813875 [0,1,0,0,0,1|2,0,0]=4 1275 B10R0.92 CC(C)(F)COC(F)C(=O)[O-] 34a_100000716592_100020610796 [0,1,0,0,0,1|1,0,1]=4 1276 B10R0.92 CC(C)(F)CSC(F)C(=O)N 62a_100009813875_100011997219 [0,1,0,0,0,1|2,0,0]=4 1277 B10R0.92 CC(C)(F)CSC(F)C(=O)N 62a_100011997219_100009813875 [0,1,0,0,0,1|2,0,0]=4 1278 B10R0.92 CC(C)(F)CSC(F)C(=O)[O-] 62a_100011997219_100020610796 [0,1,0,0,0,1|1,0,1]=4 1279 B10R0.92 CC(C)(F)CSC(F)C(=O)[O-] 62a_100020610796_100011997219 [0,1,0,0,0,1|1,0,1]=4 1280 B10R0.92 CC(C)(O)CNC(F)C(=O)N 2230a_100000751335_100009813875 [0,1,0,0,0,1|2,0,0]=4 1281 B10R0.92 CC(C)(O)CSC(F)C(=O)N 62a_100000764493_100009813875 [0,1,0,0,0,1|2,0,0]=4 1282 B10R0.92 CC(C)(O)CSC(F)C(=O)N 62a_100009813875_100000764493 [0,1,0,0,0,1|2,0,0]=4 1283 B10R0.92 CC(C)(O)CSC(F)C(=O)[O-] 62a_100000764493_100020610796 [0,1,0,0,0,1|1,0,1]=4 1284 B10R0.92 CC(C)(O)CSC(F)C(=O)[O-] 62a_100020610796_100000764493 [0,1,0,0,0,1|1,0,1]=4 1285 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,1,0,0,0,1|1,0,0]=3 1286 B10R0.92 CC(NCC(C)(C)C)C(=O)N 2230a_100000743828_100000702099 [0,1,0,0,0,1|2,0,0]=4 1287 B10R0.92 CC(NCC(C)(C)F)C(=O)N 2230a_100020643315_100000702099 [0,1,0,0,0,1|2,0,0]=4 1288 B10R0.92 CC(NCC(C)(C)O)C(=O)N 2230a_100000751335_100000702099 [0,1,0,0,0,1|2,0,0]=4 1289 B10R0.92 CC(OCC(C)(C)F)C(=O)N 34a_100000716592_100000702099 [0,1,0,0,0,1|2,0,0]=4 1290 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100000702099_100011219605 [0,1,0,0,0,1|2,0,0]=4 1291 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100011219605_100000702099 [0,1,0,0,0,1|2,0,0]=4 1292 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100000702099_100011997219 [0,1,0,0,0,1|2,0,0]=4 1293 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100011997219_100000702099 [0,1,0,0,0,1|2,0,0]=4 1294 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000702099_100000764493 [0,1,0,0,0,1|2,0,0]=4 1295 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000764493_100000702099 [0,1,0,0,0,1|2,0,0]=4 1296 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 270004a_100000119354_100011204126 [0,1,0,0,0,1|2,0,0]=4 1297 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 34a_100000119354_100011219605 [0,1,0,0,0,1|2,0,0]=4 1298 B10R0.92 C[C@@H](NCC(C)(C)F)C(=O)N 34a_100000119354_100011997219 [0,1,0,0,0,1|2,0,0]=4 1299 B10R0.92 C[C@@H](NCC(C)(C)O)C(=O)N 34a_100000119354_100000764493 [0,1,0,0,0,1|2,0,0]=4 1300 B10R0.92 C[C@@H](OCC(C)(C)C)C(=O)N 34a_100000731257_100011219605 [0,1,0,0,0,1|2,0,0]=4 1301 B10R0.92 C[C@@H](OCC(C)(C)F)C(=O)N 34a_100000731257_100011997219 [0,1,0,0,0,1|2,0,0]=4 1302 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 34a_100000731257_100000764493 [0,1,0,0,0,1|2,0,0]=4 1303 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 7a_100000731257_100000764493 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,1,0,0,0,1|1,0,0]=3 1305 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,1,0,0,0,1|1,0,0]=3 1306 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,1|1,0,0]=3 1307 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,1,0,0,0,1|2,0,0]=4 1308 B10R0.92 C[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000037933 [0,1,0,0,0,1|1,1,0]=4 1309 B10R0.92 C[C@H](OCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000764493 [0,1,0,0,0,1|1,0,1]=4 1310 B10R0.93 CC(=O)C(C)CN(C)C(C)C 1458a_100015184680_200000210301 [0,1,0,0,0,1|2,0,0]=4 1311 B10R0.93 CC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100009814033 [0,1,0,0,0,1|2,0,0]=4 1312 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.93 CC(C)C(C)NC(F)C(=O)N 2230a_100000211541_100009813875 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.93 CC(C)C(C)OC(F)C(=O)N 7a_100000748068_100009813875 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.93 CC(CN(C)C(C)C)C(=O)[13CH3] 1458a_100015184680_200025704644 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.93 CC(NC(C)C(C)C)C(=O)N 2230a_100000211541_100000702099 [0,1,0,0,0,1|2,0,0]=4 1317 B10R0.93 CC(OC(C)C(C)C)C(=O)N 7a_100000748068_100000702099 [0,1,0,0,0,1|2,0,0]=4 1318 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,1,0,0,0,1|2,0,0]=4 1319 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1320 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1321 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1322 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100103153847 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [0,1,0,0,0,1|2,0,0]=4 1325 B10R0.31 CN(CC(=O)O)CC(C)(C)F 269956a_100000746989_100011997219 [0,1,0,0,0,1|2,0,0]=4 1326 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,1,0,0,0,1|2,0,0]=4 1327 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [0,1,0,0,0,1|2,0,0]=4 1328 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,1,0,0,0,1|1,0,0]=3 1330 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,1,0,0,0,1|1,0,0]=3 1331 B10R0.44 CC(CN(C)C)NC(=O)CO 240690a_100016992788_100000210174 [0,1,0,0,0,1|2,0,0]=4 1332 B10R0.44 CC(CN(C)C)NC(=O)CO 527a_100016992788_100000210174 [0,1,0,0,0,1|2,0,0]=4 1333 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,1,0,0,0,1|2,0,0]=4 1334 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,1,0,0,0,1|2,0,0]=4 1335 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,1,0,0,0,1|2,0,0]=4 1336 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,1,0,0,0,1|2,0,0]=4 1337 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1338 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1339 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1340 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,1|2,0,0]=4 1341 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|2,0,0]=4 1342 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|2,0,0]=4 1343 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,1,0,0,0,1|2,0,0]=4 1344 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,1,0,0,0,1|2,0,0]=4 1345 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,1,0,0,0,1|2,0,0]=4 1346 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,1,0,0,0,1|2,0,0]=4 1347 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,1,0,0,0,1|2,0,0]=4 1348 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,1|1,0,1]=4 1349 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,1|1,0,1]=4 1350 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,1,0,0,0,1|2,0,0]=4 1351 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,1,0,0,0,1|2,0,0]=4 1352 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,1,0,0,0,1|2,0,0]=4 1353 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,1,0,0,0,1|2,0,0]=4 1354 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,1,0,0,0,1|2,0,0]=4 1355 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,1,0,0,0,1|2,0,0]=4 1356 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,1,0,0,0,1|2,0,0]=4 1357 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,1,0,0,0,1|2,0,0]=4 1358 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,1,0,0,0,1|2,0,0]=4 1359 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|2,0,0]=4 1360 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [0,1,0,0,0,1|1,0,1]=4 1361 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [0,1,0,0,0,1|1,0,1]=4 1362 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [0,1,0,0,0,1|1,0,1]=4 1363 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [0,1,0,0,0,1|1,0,1]=4 1364 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,1,0,0,0,1|2,0,0]=4 1365 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,1,0,0,0,1|2,0,0]=4 1366 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,1,0,0,0,1|2,0,0]=4 1367 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,1,0,0,0,1|2,0,0]=4 1368 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,1,0,0,0,1|2,0,0]=4 1369 B10R0.165 CC(=O)NC(C)(C)CC(C)C 11a_100011346068_100015343762 [0,1,0,0,0,1|2,0,0]=4 1370 B10R0.165 CC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100015343762 [0,1,0,0,0,1|2,0,0]=4 1371 B10R0.165 CC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100015343762 [0,1,0,0,0,1|2,0,0]=4 1372 B10R0.165 CC(=O)NC(C)(C)CC(C)C 527a_100011346068_100103153847 [0,1,0,0,0,1|2,0,0]=4 1373 B10R0.165 CC(C)NC(C)(C)CC(=O)O 269956a_100000755897_100000210206 [0,1,0,0,0,1|2,0,0]=4 1374 B10R0.154 CC(C(=O)O)N(C)C(C)(C)C 269956a_100000749554_100000211941 [0,2,0,0,0,0|2,0,0]=4 1375 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,2,0,0,0,0|2,0,0]=4 1376 B10R0.141 CC(C)CC(C)(O)C(=O)CF 1458a_100011434877_100015361967 [0,2,0,0,0,0|2,0,0]=4 1377 B10R0.141 CCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210202 [0,2,0,0,0,0|2,0,0]=4 1378 B10R0.141 CNC(=O)C(C)(O)CC(C)C 240690a_100102657272_100011434877 [0,2,0,0,0,0|2,0,0]=4 1379 B10R0.141 COC(=O)C(C)(C)NC(C)C 2230a_100138425928_100000689032 [0,2,0,0,0,0|2,0,0]=4 1380 B10R0.141 COC(=O)C(C)(C)OC(C)C 34a_100011217581_100000210206 [0,2,0,0,0,0|2,0,0]=4 1381 B10R0.141 COC(=O)C(C)(C)OC(C)C 7a_100011217581_100000210206 [0,2,0,0,0,0|2,0,0]=4 1382 B10R0.141 COC(=O)C(C)(C)SC(C)C 62a_100000210206_100000689032 [0,2,0,0,0,0|2,0,0]=4 1383 B10R0.141 COC(=O)C(C)(C)SC(C)C 62a_100000689032_100000210206 [0,2,0,0,0,0|2,0,0]=4 1384 B10R0.141 COC(=O)C(C)(F)NC(C)C 2230a_100138425928_200009867631 [0,2,0,0,0,0|2,0,0]=4 1385 B10R0.141 COC(=O)C(C)(F)NC(C)C 34a_100138425928_200009867631 [0,2,0,0,0,0|2,0,0]=4 1386 B10R0.141 COC(=O)C(C)(F)OC(C)C 34a_100000212225_200009867631 [0,2,0,0,0,0|2,0,0]=4 1387 B10R0.141 COC(=O)C(C)(F)SC(C)C 62a_100000210206_200009867631 [0,2,0,0,0,0|2,0,0]=4 1388 B10R0.141 COC(=O)C(C)(F)SC(C)C 62a_200009867631_100000210206 [0,2,0,0,0,0|2,0,0]=4 1389 B10R0.141 COC(=O)C(F)(F)NC(C)C 34a_100138425928_100000211177 [0,2,0,0,0,0|2,0,0]=4 1390 B10R0.141 COC(=O)C(F)(F)OC(C)C 34a_100000212225_100000211177 [0,2,0,0,0,0|2,0,0]=4 1391 B10R0.141 COC(=O)C(F)(F)SC(C)C 62a_100000210206_100000211177 [0,2,0,0,0,0|2,0,0]=4 1392 B10R0.141 COC(=O)C(F)(F)SC(C)C 62a_100000211177_100000210206 [0,2,0,0,0,0|2,0,0]=4 1393 B10R0.32 C#CCC(=O)C(C)CC(C)C 1458a_100011220946_100000731052 [0,2,0,0,0,0|2,0,0]=4 1394 B10R0.32 C#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000184674 [0,2,0,0,0,0|2,0,0]=4 1395 B10R0.32 C=CCC(=O)C(C)CC(C)C 1458a_100000210193_100000731052 [0,2,0,0,0,0|2,0,0]=4 1396 B10R0.32 C=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210623 [0,2,0,0,0,0|2,0,0]=4 1397 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,2,0,0,0,0|2,0,0]=4 1398 B10R0.32 CC(C)CC(C)C(=O)C=CBr 1458a_100016273825_100000731052 [0,2,0,0,0,0|2,0,0]=4 1399 B10R0.32 CC(C)CC(C)C(=O)C=CCl 1458a_200016279998_100000731052 [0,2,0,0,0,0|2,0,0]=4 1400 B10R0.32 CC(C)CC(C)C(=O)C=CI 1458a_100016256311_100000731052 [0,2,0,0,0,0|2,0,0]=4 1401 B10R0.32 CC(C)CC(C)C(=O)CC#N 1458a_100051588842_100000731052 [0,2,0,0,0,0|2,0,0]=4 1402 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,2,0,0,0,0|1,0,0]=3 1403 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,2,0,0,0,0|2,0,0]=4 1404 B10R0.32 CC(C)C[C@H](O)C(=O)CC#N 1458a_100012027011_100011214920 [0,2,0,0,0,0|2,0,0]=4 1405 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,2,0,0,0,0|2,0,0]=4 1406 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,2,0,0,0,0|1,0,0]=3 1407 B10R0.32 CC(CN(C)C)C(=O)CCO 1458a_200015186601_100000211926 [0,2,0,0,0,0|2,0,0]=4 1408 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,2,0,0,0,0|2,0,0]=4 1409 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|2,0,0]=4 1410 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|2,0,0]=4 1411 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,2,0,0,0,0|2,0,0]=4 1412 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,2,0,0,0,0|2,0,0]=4 1413 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,2,0,0,0,0|2,0,0]=4 1414 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,2,0,0,0,0|2,0,0]=4 1415 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,2,0,0,0,0|2,0,0]=4 1416 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,2,0,0,0,0|2,0,0]=4 1418 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,2,0,0,0,0|2,0,0]=4 1419 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,2,0,0,0,0|2,0,0]=4 1420 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,2,0,0,0,0|2,0,0]=4 1421 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,2,0,0,0,0|2,0,0]=4 1423 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,2,0,0,0,0|2,0,0]=4 1424 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|1,0,0]=3 1425 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1429 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,2,0,0,0,0|1,1,0]=4 1430 B10R0.37 CN(CC(C)(C)C)C(=O)CO 240690a_100000742839_100000210174 [0,2,0,0,0,0|2,0,0]=4 1431 B10R0.37 CN(CC(C)(C)C)C(=O)CO 527a_100000742839_100000210174 [0,2,0,0,0,0|2,0,0]=4 1432 B10R0.37 CN(CC(C)(C)O)C(=O)CO 240690a_100000755907_100000210174 [0,2,0,0,0,0|2,0,0]=4 1433 B10R0.37 CN(CC(C)(C)O)C(=O)CO 527a_100000755907_100000210174 [0,2,0,0,0,0|2,0,0]=4 1434 B10R0.37 COC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000211248 [0,2,0,0,0,0|2,0,0]=4 1435 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100011215400_100000210625 [0,2,0,0,0,0|2,0,0]=4 1436 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100015890283_100000211248 [0,2,0,0,0,0|2,0,0]=4 1437 B10R0.37 COC(=O)C(C)OC(C)(C)C 7a_100015890283_100000211248 [0,2,0,0,0,0|2,0,0]=4 1438 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211248_100000211941 [0,2,0,0,0,0|2,0,0]=4 1439 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211941_100000211248 [0,2,0,0,0,0|2,0,0]=4 1440 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 1441 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 1442 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|2,0,0]=4 1444 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|2,0,0]=4 1445 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|2,0,0]=4 1446 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|2,0,0]=4 1447 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 1448 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 1449 B10R0.46 COC(=O)C(C)OC(C)CF 34a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 1450 B10R0.46 COC(=O)C(C)OC(C)CF 7a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 1451 B10R0.46 COC(=O)C(C)OC(C)CN 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 1452 B10R0.46 COC(=O)C(C)OC(C)CO 34a_100011215400_100012180447 [0,2,0,0,0,0|2,0,0]=4 1453 B10R0.46 COC(=O)C(C)SC(C)CO 62a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 1454 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100000211248_100009879195 [0,2,0,0,0,0|2,0,0]=4 1455 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100009879195_100000211248 [0,2,0,0,0,0|2,0,0]=4 1456 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100000211248_100016084084 [0,2,0,0,0,0|2,0,0]=4 1457 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 1458 B10R0.54 CCC(NC(C)C)C(=O)OC 2230a_100138425928_100000235869 [0,2,0,0,0,0|2,0,0]=4 1459 B10R0.54 CCC(NC(C)C)C(=O)OC 34a_100138425928_100000235869 [0,2,0,0,0,0|2,0,0]=4 1460 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000212225_100000235869 [0,2,0,0,0,0|2,0,0]=4 1461 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000695916_100000210206 [0,2,0,0,0,0|2,0,0]=4 1462 B10R0.54 CCC(OC(C)C)C(=O)OC 7a_100000695916_100000210206 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000210206_100000235869 [0,2,0,0,0,0|2,0,0]=4 1464 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000235869_100000210206 [0,2,0,0,0,0|2,0,0]=4 1465 B10R0.54 CCN(CC(C)C)C(=O)CO 240690a_100000738554_100000210174 [0,2,0,0,0,0|2,0,0]=4 1466 B10R0.54 CCN(CC(C)C)C(=O)CO 527a_100000738554_100000210174 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.54 COC(=O)C(C=O)NC(C)C 34a_100138425928_100000046368 [0,2,0,0,0,0|2,0,0]=4 1468 B10R0.54 COC(=O)C(C=O)OC(C)C 34a_100000212225_100000046368 [0,2,0,0,0,0|2,0,0]=4 1469 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000046368_100000210206 [0,2,0,0,0,0|2,0,0]=4 1470 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000210206_100000046368 [0,2,0,0,0,0|2,0,0]=4 1471 B10R0.54 COC(=O)C(CN)OC(C)C 34a_100000695228_100000210206 [0,2,0,0,0,0|1,0,0]=3 1472 B10R0.54 COC(=O)C(CO)NC(C)C 34a_100138425928_100012276630 [0,2,0,0,0,0|2,0,0]=4 1473 B10R0.54 COC(=O)C(CO)OC(C)C 34a_100000212225_100012276630 [0,2,0,0,0,0|2,0,0]=4 1474 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100000210206_100012276630 [0,2,0,0,0,0|2,0,0]=4 1475 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100012276630_100000210206 [0,2,0,0,0,0|2,0,0]=4 1476 B10R0.54 COC(=O)C(NC(C)C)OC 34a_100138425928_100000101307 [0,2,0,0,0,0|2,0,0]=4 1477 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000036821_100000210206 [0,2,0,0,0,0|2,0,0]=4 1478 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000212225_100000101307 [0,2,0,0,0,0|2,0,0]=4 1479 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000101307_100000210206 [0,2,0,0,0,0|2,0,0]=4 1480 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000210206_100000101307 [0,2,0,0,0,0|2,0,0]=4 1481 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,2,0,0,0,0|1,0,0]=3 1482 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,2,0,0,0,0|1,0,0]=3 1483 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,2,0,0,0,0|1,0,0]=3 1484 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,2,0,0,0,0|1,0,0]=3 1485 B10R0.56 CC(C(=O)O)N(C)[C@H](C)CO 269956a_100000749554_100016084084 [0,2,0,0,0,0|2,0,0]=4 1486 B10R0.56 CC(C)C(=O)C(C)C(=O)CO 1458a_100000210174_100009893295 [0,2,0,0,0,0|1,0,1]=4 1487 B10R0.56 CC(C)C(C)N(C)C(=O)CO 240690a_100000228512_100000210174 [0,2,0,0,0,0|2,0,0]=4 1488 B10R0.56 CC(C)C(C)N(C)C(=O)CO 527a_100000228512_100000210174 [0,2,0,0,0,0|2,0,0]=4 1489 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|2,0,0]=4 1490 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000211248 [0,2,0,0,0,0|1,0,1]=4 1491 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100012027023_100000210206 [0,2,0,0,0,0|1,0,1]=4 1492 B10R0.56 COC(=O)C(C)N(C)C(C)C 2230a_100000725243_100000210206 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_100000725243_100000210206 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_200000211004_100000211248 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.56 COC(C)N(C)C(C)C(=O)O 269956a_100000749554_100009879195 [0,2,0,0,0,0|2,0,0]=4 1496 B10R0.23 CC(C)C[C@H](NCF)C(=O)N 34a_100016989234_100015361967 [0,2,0,0,0,0|1,0,0]=3 1497 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,2,0,0,0,0|2,0,0]=4 1498 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,2,0,0,0,0|1,0,0]=3 1499 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,2,0,0,0,0|1,0,0]=3 1500 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,2,0,0,0,0|2,0,0]=4 1501 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,2,0,0,0,0|2,0,0]=4 1502 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,2,0,0,0,0|2,0,0]=4 1504 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,2,0,0,0,0|2,0,0]=4 1505 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.53 C=C[C@H](NC(C)OC)C(=O)O 269956a_100016992060_100009879195 [0,2,0,0,0,0|2,0,0]=4 1507 B10R0.53 C=C[C@H](N[C@H](C)CO)C(=O)O 269956a_100016992060_100016084084 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,2,0,0,0,0|2,0,0]=4 1514 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.95 C=C[C@H](NC(C)(C)C)C(=O)O 269956a_100016992060_100000211941 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,2,0,0,0,0|0,0,0]=2 1517 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,2,0,0,0,0|2,0,0]=4 1518 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,2,0,0,0,0|0,0,0]=2 1519 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,2,0,0,0,0|2,0,0]=4 1520 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,2,0,0,0,0|0,0,0]=2 1521 B10R0.95 CNC(CC(F)(F)F)C(=O)O 269956a_100000685204_200000210301 [0,2,0,0,0,0|2,0,0]=4 1522 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,2,0,0,0,0|0,0,0]=2 1523 B10R0.95 [13CH3]NC(CC(F)(F)F)C(=O)O 269956a_100000685204_200025704644 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.162 CC(C)NC(C(=O)N)C(=O)N 2230a_100000025885_100000210206 [0,2,0,0,0,0|2,0,0]=4 1525 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,2,0,0,0,0|2,0,0]=4 1526 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,2,0,0,0,0|2,0,0]=4 1527 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|2,0,0]=4 1530 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|2,0,0]=4 1531 B10R0.67 C#CC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000038118 [0,2,0,0,0,0|2,0,0]=4 1532 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|2,0,0]=4 1534 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|2,0,0]=4 1535 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|2,0,0]=4 1536 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 1537 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 1538 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|2,0,0]=4 1539 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 1540 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 1541 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|2,0,0]=4 1542 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|2,0,0]=4 1543 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|2,0,0]=4 1544 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 1545 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|2,0,0]=4 1546 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 1547 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 1548 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 1549 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 1550 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 1551 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1552 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1553 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1554 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 1555 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 1556 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 1557 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 1558 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 1559 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 1560 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 1561 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|1,0,0]=3 1562 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|1,0,0]=3 1563 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,1,0,1|2,0,0]=4 1564 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,1,0,1|2,0,0]=4 1565 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,1|2,0,0]=4 1566 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,1,0,1|2,0,0]=4 1567 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,1|2,0,0]=4 1568 B10R1.81 CC(=O)C(C)N1CC(C1)C 2230a_100000702820_100009814033 [0,0,0,1,0,1|2,0,0]=4 1569 B10R1.81 CC(=O)C(C)N1CC(C1)C 269982a_100000702820_100009814033 [0,0,0,1,0,1|2,0,0]=4 1570 B10R1.81 CC1CN(C1)C(C)C(=O)N 2230a_100000702820_100000702099 [0,0,0,1,0,1|2,0,0]=4 1571 B10R1.81 CC1CN(C1)C(C)C(=O)N 269982a_100000702820_100000184083 [0,0,0,1,0,1|2,0,0]=4 1572 B10R1.81 CC1CN(C1)C(C)C(=O)N 34a_100000702820_100000702099 [0,0,0,1,0,1|2,0,0]=4 1573 B10R1.81 CC1CN(C1)C(F)C(=O)N 2230a_100000702820_100009813875 [0,0,0,1,0,1|2,0,0]=4 1574 B10R1.81 CC1CN(C1)C(F)C(=O)N 269982a_100000702820_100009813875 [0,0,0,1,0,1|2,0,0]=4 1575 B10R1.81 CC1CN(C1)C(F)C(=O)N 34a_100000702820_100009813875 [0,0,0,1,0,1|2,0,0]=4 1576 B10R1.81 CC1CN(C1)C(F)C(=O)[O-] 34a_100000702820_100020610796 [0,0,0,1,0,1|1,0,1]=4 1577 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,0,0,1,0,1|2,0,0]=4 1578 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,0,0,1,0,1|2,0,0]=4 1579 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,0,0,1,0,1|2,0,0]=4 1580 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,0,0,1,0,1|2,0,0]=4 1581 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,0,0,1,0,1|2,0,0]=4 1582 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,0,0,1,0,1|2,0,0]=4 1583 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,0,0,1,0,1|2,0,0]=4 1584 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,0,0,1,0,1|2,0,0]=4 1585 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,0,0,1,0,1|2,0,0]=4 1586 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,1|1,0,0]=3 1587 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,0,0,1,0,1|2,0,0]=4 1588 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,0,0,1,0,1|2,0,0]=4 1589 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,0,0,1,0,1|2,0,0]=4 1590 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,0,0,1,0,1|2,0,0]=4 1591 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,0,0,1,0,1|2,0,0]=4 1592 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,0,0,1,0,1|2,0,0]=4 1593 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,0,0,1,0,1|2,0,0]=4 1594 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,0,0,1,0,1|2,0,0]=4 1595 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,0,0,1,0,1|2,0,0]=4 1596 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,1|1,0,0]=3 1597 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,1|2,0,0]=4 1598 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,1|2,0,0]=4 1599 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,1|2,0,0]=4 1600 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,0,0,1,0,1|1,0,1]=4 1601 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,0,0,1,0,1|2,0,0]=4 1602 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,0,0,1,0,1|2,0,0]=4 1603 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,0,0,1,0,1|2,0,0]=4 1604 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,0,0,1,0,1|2,0,0]=4 1605 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,0,0,1,0,1|2,0,0]=4 1606 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,1|1,0,0]=3 1607 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,1|1,0,0]=3 1608 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,0,0,1,0,1|1,0,1]=4 1609 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,0,0,1,0,1|1,0,1]=4 1610 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,0,0,1,0,1|1,0,1]=4 1611 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,0,0,1,0,1|1,0,1]=4 1612 B10R1.349 CC(=O)C1CN(C1)C(C)C 1458a_100011935012_200000210301 [0,0,0,1,0,1|2,0,0]=4 1613 B10R1.349 CC(C)N1CC(C1)C(=O)N 34a_100025753142_100000210206 [0,0,0,1,0,1|2,0,0]=4 1614 B10R1.349 CC(C)N1CC(C1)C(=O)[13CH3] 1458a_100011935012_200025704644 [0,0,0,1,0,1|2,0,0]=4 1615 B10R1.359 CC(=O)C1COC(O1)(C)C 1458a_100015188449_200000210301 [0,0,0,1,0,1|2,0,0]=4 1616 B10R1.359 CC1(OCC(O1)C(=O)[13CH3])C 1458a_100015188449_200025704644 [0,0,0,1,0,1|2,0,0]=4 1617 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,1|2,0,0]=4 1618 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,0,0,1,0,1|2,0,0]=4 1619 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,0,0,1,0,1|2,0,0]=4 1620 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,0,0,1,0,1|2,0,0]=4 1621 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 1622 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 1623 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,1|2,0,0]=4 1624 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,1|2,0,0]=4 1625 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,0,0,1,0,1|2,0,0]=4 1626 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,1,0,1,0,0|2,0,0]=4 1627 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 1628 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 1629 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 1630 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 1631 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 1632 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 1633 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 1634 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 1635 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,1,0,1,0,0|2,0,0]=4 1636 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,1,0,1,0,0|2,0,0]=4 1637 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,1,0,0|2,0,0]=4 1638 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,1,0,0|2,0,0]=4 1639 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,1,0,0|2,0,0]=4 1640 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 1641 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 1642 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|2,0,0]=4 1643 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|2,0,0]=4 1644 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|2,0,0]=4 1645 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|2,0,0]=4 1646 B10R1.413 CC1(CC(C1)C(=O)CF)C 1458a_100000695498_100015361967 [0,1,0,1,0,0|2,0,0]=4 1647 B10R1.413 CC1(CN(C1)C(=O)CO)C 240690a_100000753659_100000210174 [0,1,0,1,0,0|2,0,0]=4 1648 B10R1.413 CC1(CN(C1)C(=O)CO)C 527a_100000753659_100000210174 [0,1,0,1,0,0|2,0,0]=4 1649 B10R1.413 CCC(=O)C1CC(C1)(C)C 1458a_100000695498_100000210202 [0,1,0,1,0,0|2,0,0]=4 1650 B10R1.413 CNC(=O)C1CC(C1)(C)C 11a_106832991635_100000695498 [0,1,0,1,0,0|2,0,0]=4 1651 B10R1.413 CNC(=O)C1CC(C1)(C)C 1626a_100102657272_100000695498 [0,1,0,1,0,0|2,0,0]=4 1652 B10R1.413 CNC(=O)C1CC(C1)(C)C 240690a_100102657272_100000695498 [0,1,0,1,0,0|2,0,0]=4 1653 B10R1.413 CNC(=O)C1CC(C1)(C)C 527a_100102657272_100000695498 [0,1,0,1,0,0|2,0,0]=4 1654 B10R1.424 COC(=O)C1(CN(C1)C)C 2230a_100009883290_200000210301 [0,1,0,1,0,0|2,0,0]=4 1655 B10R1.424 COC(=O)C1(CN(C1)C)C 269982a_100009883290_200000210301 [0,1,0,1,0,0|2,0,0]=4 1656 B10R1.424 COC(=O)C1(CN(C1)[13CH3])C 2230a_100009883290_200025704644 [0,1,0,1,0,0|2,0,0]=4 1657 B10R1.424 COC(=O)C1(CN(C1)[13CH3])C 269982a_100009883290_200025704644 [0,1,0,1,0,0|2,0,0]=4 1658 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|2,0,0]=4 1659 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|2,0,0]=4 1660 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|2,0,0]=4 1661 B10R1.469 C=C[C@H](NC1CC1)C(=O)O 269956a_100016992060_100000211595 [0,1,0,1,0,0|2,0,0]=4 1662 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|2,0,0]=4 1663 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,1,0,1,0,0|2,0,0]=4 1664 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,1,0,1,0,0|1,0,1]=4 1665 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|1,0,0]=3 1666 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,1,0,1,0,0|1,0,1]=4 1667 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|1,0,0]=3 1668 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|2,0,0]=4 1669 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|2,0,0]=4 1670 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|2,0,0]=4 1671 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [1,0,0,0,0,1|2,0,0]=4 1672 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,1|2,0,0]=4 1673 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,1|2,0,0]=4 1674 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,1|2,0,0]=4 1675 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,1|2,0,0]=4 1676 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,1|2,0,0]=4 1677 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,1|2,0,0]=4 1678 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,1|0,0,2]=4 1679 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,0,1|2,0,0]=4 1680 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,0,1|2,0,0]=4 1681 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,0,1|2,0,0]=4 1682 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,0,1|2,0,0]=4 1683 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,0,1|2,0,0]=4 1684 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,0,1|2,0,0]=4 1685 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [1,0,0,0,0,1|2,0,0]=4 1686 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [1,0,0,0,0,1|2,0,0]=4 1687 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [1,0,0,0,0,1|2,0,0]=4 1688 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [1,0,0,0,0,1|2,0,0]=4 1689 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [1,0,0,0,0,1|2,0,0]=4 1690 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [1,0,0,0,0,1|2,0,0]=4 1691 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,1|1,0,1]=4 1692 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,1|1,0,1]=4 1693 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,1|1,0,0]=3 1694 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,1|1,0,0]=3 1695 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,1|2,0,0]=4 1696 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,1|2,0,0]=4 1697 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,1|2,0,0]=4 1698 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,1|1,0,0]=3 1699 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,1|1,0,0]=3 1700 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,1|1,0,0]=3 1701 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,1|1,0,0]=3 1702 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,1|1,0,0]=3 1703 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,1|1,0,0]=3 1704 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,1|1,0,0]=3 1705 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,1|1,0,0]=3 1706 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,0,0,0,0,1|2,0,0]=4 1707 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,0,0,0,0,1|2,0,0]=4 1708 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,1|1,0,0]=3 1709 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,1|1,0,0]=3 1710 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,1|1,0,0]=3 1711 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,1|1,0,0]=3 1712 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,1|2,0,0]=4 1713 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,1|2,0,0]=4 1714 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,0,0,0,0,1|2,0,0]=4 1715 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,0,0,0,0,1|2,0,0]=4 1716 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,0,0,0,0,1|2,0,0]=4 1717 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,0,0,0,0,1|2,0,0]=4 1718 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,0,0,0,0,1|2,0,0]=4 1719 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,0,0,0,1|2,0,0]=4 1720 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,0,0,0,0,1|2,0,0]=4 1721 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,0,1|2,0,0]=4 1722 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,0,0,0,0,1|2,0,0]=4 1723 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,0,0,0,0,1|2,0,0]=4 1724 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,0,0,0,0,1|2,0,0]=4 1725 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,0,0,0,0,1|1,0,1]=4 1726 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,1|1,0,1]=4 1727 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,1|1,0,0]=3 1728 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,0,0,0,0,1|1,0,0]=3 1729 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,0,0,0,0,1|1,0,0]=3 1730 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,0,0,0,0,1|1,0,0]=3 1731 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,1|0,0,0]=2 1732 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,0,0,0,0,1|0,0,1]=3 1733 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,0,0,0,0,1|1,0,1]=4 1734 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,0,0,0,0,1|1,0,1]=4 1735 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,0,0,0,0,1|1,0,1]=4 1736 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,0,0,0,0,1|1,0,1]=4 1737 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,0,0,0,0,1|1,0,1]=4 1738 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,0,0,0,0,1|1,0,1]=4 1739 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,0,0,0,0,1|1,0,1]=4 1740 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [1,0,0,0,0,1|1,0,1]=4 1741 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,0,0,0,0,1|1,0,0]=3 1742 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,1|1,0,0]=3 1743 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,0,0,0,0,1|0,0,1]=3 1744 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,0,0,0,0,1|1,0,1]=4 1745 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,0,0,0,0,1|1,0,1]=4 1746 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [1,0,0,0,0,1|1,0,1]=4 1747 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,0,0,0,0,1|1,0,0]=3 1748 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,0,0,0,0,1|1,0,0]=3 1749 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,0,0,0,0,1|0,0,1]=3 1750 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,0,0,0,0,1|0,0,1]=3 1751 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,0,0,0,0,1|1,0,1]=4 1752 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,0,0,0,0,1|1,0,1]=4 1753 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,0,0,0,0,1|1,0,1]=4 1754 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,0,0,0,0,1|1,0,1]=4 1755 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [1,0,0,0,0,1|1,0,1]=4 1756 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,0,0,0,0,1|1,0,0]=3 1757 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,0,0,0,0,1|1,0,0]=3 1758 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,1|1,0,0]=3 1759 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,0,0,0,0,1|1,0,0]=3 1760 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,0,0,0,0,1|1,0,0]=3 1761 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,0,0,0,0,1|1,0,0]=3 1762 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,0,0,0,0,1|1,0,0]=3 1763 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,0,0,0,0,1|1,0,0]=3 1764 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,0,0,0,0,1|2,0,0]=4 1765 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,0,0,0,0,1|1,0,1]=4 1766 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,0,0,0,0,1|1,0,1]=4 1767 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,0,0,0,0,1|1,0,1]=4 1768 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,0,0,0,0,1|1,0,1]=4 1769 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,1|1,0,1]=4 1770 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,0,0,0,0,1|1,0,1]=4 1771 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,0,0,0,0,1|1,0,1]=4 1772 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,0,0,0,0,1|2,0,0]=4 1773 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,0,0,0,0,1|2,0,0]=4 1774 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,0,0,0,0,1|2,0,0]=4 1775 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,1|1,0,0]=3 1776 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,0,0,0,0,1|1,0,1]=4 1777 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,0,0,0,0,1|2,0,0]=4 1778 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,0,0,0,0,1|2,0,0]=4 1779 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,0,0,0,0,1|1,0,1]=4 1780 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,0,0,0,0,1|1,0,1]=4 1781 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,1|2,0,0]=4 1782 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,1|1,0,0]=3 1783 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [1,0,0,0,0,1|2,0,0]=4 1784 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [1,0,0,0,0,1|2,0,0]=4 1785 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [1,0,0,0,0,1|2,0,0]=4 1786 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,1|1,0,0]=3 1787 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,0,0,0,0,1|2,0,0]=4 1788 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,0,0,0,0,1|1,0,1]=4 1789 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,0,0,0,0,1|2,0,0]=4 1790 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,0,0,0,0,1|1,0,1]=4 1791 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,0,0,0,0,1|2,0,0]=4 1792 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,1|1,0,0]=3 1793 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,0,0,0,0,1|2,0,0]=4 1794 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,0,0,0,0,1|2,0,0]=4 1795 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,0,0,0,0,1|1,0,1]=4 1796 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,0,0,0,0,1|1,0,1]=4 1797 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,0,0,0,0,1|2,0,0]=4 1798 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,0,2|2,0,0]=4 1799 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,0,2|2,0,0]=4 1800 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,0,2|2,0,0]=4 1801 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,0,2|2,0,0]=4 1802 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,0,0,0,0,2|2,0,0]=4 1803 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,0,0,0,0,2|2,0,0]=4 1804 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,2|2,0,0]=4 1805 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,0,2|1,0,0]=3 1806 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,0,0,0,0,2|2,0,0]=4 1807 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,0,2|1,0,1]=4 1808 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,0,0,0,0,2|2,0,0]=4 1809 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,0,0,0,0,2|2,0,0]=4 1810 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,0,0,0,0,2|2,0,0]=4 1811 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,0,0,0,0,2|2,0,0]=4 1812 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,0,0,0,0,2|2,0,0]=4 1813 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,0,0,0,0,2|2,0,0]=4 1814 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,0,0,0,0,2|2,0,0]=4 1815 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,0,0,0,0,2|2,0,0]=4 1816 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,0,0,0,0,2|2,0,0]=4 1817 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,2|1,0,0]=3 1818 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,0,0,0,0,2|2,0,0]=4 1819 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,0,0,0,0,2|2,0,0]=4 1820 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,0,0,0,0,2|2,0,0]=4 1821 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,0,0,0,0,2|2,0,0]=4 1822 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,0,0,0,0,2|2,0,0]=4 1823 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,0,0,0,0,2|2,0,0]=4 1824 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,0,0,0,0,2|1,0,1]=4 1825 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,0,0,0,0,2|1,0,1]=4 1826 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,0,0,0,0,2|2,0,0]=4 1827 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,0,0,0,0,2|2,0,0]=4 1828 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,0,0,0,0,2|2,0,0]=4 1829 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,0,0,0,0,2|2,0,0]=4 1830 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,0,0,0,0,2|2,0,0]=4 1831 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,0,0,0,0,2|2,0,0]=4 1832 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,0,0,0,0,2|1,0,1]=4 1833 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,0,0,0,0,2|1,0,1]=4 1834 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,2|1,0,0]=3 1835 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,0,0,0,0,2|1,0,0]=3 1836 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,0,0,0,0,2|1,0,0]=3 1837 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,0,2|1,0,0]=3 1838 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 2230a_100000119354_100000709892 [0,0,0,0,0,2|2,0,0]=4 1839 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 34a_100000119354_100000709892 [0,0,0,0,0,2|2,0,0]=4 1840 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,0,0,0,0,2|2,0,0]=4 1841 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,0,0,0,0,2|2,0,0]=4 1842 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,0,0,0,0,2|2,0,0]=4 1843 B10R0.98 CC(C)OCSC(F)C(=O)N 62a_100000709892_100009813875 [0,0,0,0,0,2|2,0,0]=4 1844 B10R0.98 CC(C)OCSC(F)C(=O)N 62a_100009813875_100000709892 [0,0,0,0,0,2|2,0,0]=4 1845 B10R0.98 CC(C)OCSC(F)C(=O)[O-] 62a_100000709892_100020610796 [0,0,0,0,0,2|1,0,1]=4 1846 B10R0.98 CC(C)OCSC(F)C(=O)[O-] 62a_100020610796_100000709892 [0,0,0,0,0,2|1,0,1]=4 1847 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,0,2|2,0,0]=4 1848 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,0,2|2,0,0]=4 1849 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,0,2|2,0,0]=4 1850 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,0,0,0,0,2|2,0,0]=4 1851 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,0,0,0,0,2|2,0,0]=4 1852 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,0,0,0,0,2|2,0,0]=4 1853 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,0,0,0,0,2|2,0,0]=4 1854 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,0,2|2,0,0]=4