0 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|2,1,0]=4 75 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|2,1,0]=4 124 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,1,0]=3 138 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,1,0]=4 148 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,1,0]=4 149 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|2,1,0]=4 202 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|2,1,0]=4 207 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|2,1,0]=4 209 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|2,1,0]=4 211 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|1,1,0]=3 213 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,1,0]=4 214 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|2,1,0]=4 233 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|2,1,0]=4 234 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,1,0]=4 259 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|2,1,0]=4 261 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|2,1,0]=4 264 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|2,1,0]=4 265 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,0,0,0,0|2,1,0]=4 268 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,0,0,0,0|2,1,0]=4 269 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,0,0,0,0|2,1,0]=4 274 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,0,0,0,0|2,1,0]=4 275 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,0]=3 303 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|2,1,0]=4 304 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|2,0,0]=3 306 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 308 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|2,0,0]=3 311 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|3,0,0]=4 317 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,1,0,0,0,0|3,0,0]=4 319 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,1,0,0,0,0|3,0,0]=4 320 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,1,0,0,0,0|3,0,0]=4 321 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,0,0,0,0|2,1,0]=4 326 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,0,0,0,0|2,1,0]=4 327 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 328 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|2,1,0]=4 330 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|2,1,0]=4 331 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,0,0,0,0|1,1,1]=4 333 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|2,0,0]=3 334 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|1,1,0]=3 335 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|1,1,1]=4 337 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,0,0,0,0|2,1,0]=4 339 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,0,0,0,0|2,1,0]=4 340 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,0,0,0,0|2,1,0]=4 344 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,0,0,0,0|2,1,0]=4 345 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,0,0,0,0|1,1,1]=4 351 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,0,0,0,0|1,1,1]=4 355 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,0,0,0,0|1,1,1]=4 356 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,0,0,0,0|2,0,0]=3 373 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,0,0,0,0|2,0,0]=3 375 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,0,0,0,0|1,0,0]=2 377 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,0,0,0,0|2,0,0]=3 382 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,0,0,0,0|2,0,0]=3 383 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|3,0,0]=4 392 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|3,0,0]=4 393 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|3,0,0]=4 394 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|2,1,0]=4 395 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|2,1,0]=4 396 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 397 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 398 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|3,0,0]=4 402 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|2,1,0]=4 403 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|3,0,0]=4 404 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|3,0,0]=4 405 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|3,0,0]=4 406 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|1,1,1]=4 407 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|2,1,0]=4 408 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|3,0,0]=4 409 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|3,0,0]=4 410 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|1,1,1]=4 411 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|2,1,0]=4 412 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|3,0,0]=4 413 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|3,0,0]=4 414 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|3,0,0]=4 415 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|3,0,0]=4 416 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|3,0,0]=4 418 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,0,0,0,1|2,1,0]=4 419 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,0,0,0,1|2,1,0]=4 420 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,1|3,0,0]=4 421 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,1|3,0,0]=4 422 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,1|3,0,0]=4 423 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,1|3,0,0]=4 424 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,1|3,0,0]=4 425 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,1|3,0,0]=4 426 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,1|3,0,0]=4 427 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,0,1|3,0,0]=4 428 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,0,0,0,0,1|3,0,0]=4 429 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,0,0,0,0,1|2,1,0]=4 430 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,0,0,0,0,1|2,1,0]=4 431 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,0,0,0,0,1|3,0,0]=4 432 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,0,0,0,0,1|2,1,0]=4 433 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,0,0,0,0,1|3,0,0]=4 434 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,1,0]=4 436 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,1,0]=4 437 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 439 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 440 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 446 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 449 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,1,0]=4 462 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 464 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|2,0,0]=4 483 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 498 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 499 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 508 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 509 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 517 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 518 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|0,1,0]=3 523 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|1,1,0]=4 524 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,1,0]=4 525 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|0,1,0]=3 526 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|1,1,0]=4 527 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,1,0]=4 528 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|1,0,1]=4 542 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,1,0]=4 546 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,1,0]=4 547 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,1,0]=4 548 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,1,0]=4 549 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,1,0]=4 557 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,1,0]=4 558 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,1,0]=4 563 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,1,0]=4 564 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,1,0]=4 613 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,1,0]=4 614 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,1,0]=4 615 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,1,0]=4 616 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,1,0]=4 617 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,1,0]=4 618 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,1,0]=4 619 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,1,0]=4 620 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 625 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 626 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 642 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 650 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|1,1,0]=4 655 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|1,1,0]=4 656 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|1,1,0]=4 657 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 660 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|1,1,0]=4 661 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|1,1,0]=4 662 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 664 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 665 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|0,1,0]=3 666 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 668 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|0,1,1]=4 669 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 670 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 671 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|0,1,1]=4 673 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|0,1,1]=4 674 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|0,1,1]=4 675 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,1,0]=4 677 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,1,0]=4 678 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|2,0,0]=4 679 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 680 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 681 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 682 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,1,0]=4 688 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,1|2,0,0]=4 691 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,1|2,0,0]=4 692 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,1|2,0,0]=4 693 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,1|2,0,0]=4 694 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,1|2,0,0]=4 695 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,1|2,0,0]=4 696 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,1,0,0,0,1|1,1,0]=4 697 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,1,0,0,0,1|1,1,0]=4 698 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|1,0,0]=3 725 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|1,0,0]=3 728 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|1,1,0]=4 734 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|1,1,0]=4 735 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|1,1,0]=4 739 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|1,1,0]=4 743 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|1,1,0]=4 744 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|1,0,0]=3 748 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|1,1,0]=4 749 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.8 NNC(=O)C(N)COCF 34a_100016989258_100015361967 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|1,0,0]=3 758 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.12 COC(=O)C(CN)OCF 34a_100000695228_100015361967 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|1,1,0]=4 770 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|2,0,0]=4 772 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,1,0]=4 775 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 779 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|1,1,0]=4 780 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|1,1,0]=4 782 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,2,0,0,0,0|1,1,0]=4 785 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|2,0,0]=4 791 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|2,0,0]=4 792 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|2,0,0]=4 793 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|2,0,0]=4 795 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,2,0,0,0,0|1,1,0]=4 797 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 799 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 800 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|0,0,0]=2 801 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,2,0,0,0,0|0,1,0]=3 802 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 803 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 804 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|0,0,0]=2 805 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,2,0,0,0,0|0,1,0]=3 807 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,2,0,0,0,0|1,1,0]=4 809 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,1,0]=4 811 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,2,0,0,0,0|1,1,0]=4 821 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,2,0,0,0,0|2,0,0]=4 822 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,2,0,0,0,0|1,1,0]=4 823 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|2,0,0]=4 824 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|2,0,0]=4 825 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|2,0,0]=4 826 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 827 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|2,0,0]=4 828 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|1,1,0]=4 829 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,2,0,0,0,0|1,1,0]=4 830 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,2,0,0,0,0|1,1,0]=4 831 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|1,0,0]=3 835 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,2,0,0,0,0|2,0,0]=4 836 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,2,0,0,0,0|2,0,0]=4 837 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|2,0,0]=4 839 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 840 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 842 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 843 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,2,0,0,0,0|1,0,1]=4 844 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,2,0,0,0,0|1,0,1]=4 845 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 847 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,2,0,0,0,0|1,0,1]=4 854 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,2,0,0,0,0|1,0,1]=4 855 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,2,0,0,0,0|1,0,0]=3 856 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,2,0,0,0,0|1,0,0]=3 857 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|2,0,0]=4 858 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,2,0,0,0,0|1,0,0]=3 859 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,2,0,0,0,0|2,0,0]=4 860 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|2,0,0]=4 861 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|1,1,0]=4 862 B9R0.47 C[C@H](NCSC#N)C(=O)O 269956a_100000743915_100000211825 [0,2,0,0,0,0|2,0,0]=4 863 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,2,0,0,0,0|1,1,0]=4 865 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 866 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|1,1,0]=4 867 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,2,0,0,0,0|1,1,0]=4 869 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,2,0,0,0,0|1,1,0]=4 870 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,2,0,0,0,0|1,0,0]=3 877 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,2,0,0,0,0|2,0,0]=4 880 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,2,0,0,0,0|2,0,0]=4 881 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,2,0,0,0,0|2,0,0]=4 882 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,2,0,0,0,0|1,1,0]=4 890 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,2,0,0,0,0|1,1,0]=4 891 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|2,0,0]=4 892 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|2,0,0]=4 893 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 894 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 895 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 896 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 897 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 898 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|2,0,0]=4 899 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 900 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 901 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|2,0,0]=4 902 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 903 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 904 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|2,0,0]=4 905 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|2,0,0]=4 906 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,1,0]=4 907 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,0,0]=3 908 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,1,0]=4 909 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|2,0,0]=4 910 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,1|2,0,0]=4 911 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,1|2,0,0]=4 912 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|1,1,0]=4 914 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,1,0,0|1,1,0]=4 928 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,1,0,0|1,1,0]=4 929 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,1,0,0|1,0,0]=3 938 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,0,0,0,0,2|1,1,0]=4 939 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,0,0,0,0,2|2,0,0]=4