0 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,0|1,0,0]=1 50 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,0|1,0,0]=1 51 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,0,0,0,0,0|4,0,0]=4 75 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,0|2,0,0]=2 78 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,0|1,0,0]=1 80 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,0|1,0,0]=1 81 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,0|1,0,1]=2 83 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.2 CCN(C)CC(F)F 2230a_100000225621_100011934356 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.2 CCN(C)CC(F)F 269982a_100000225621_100011934356 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,0|1,0,0]=1 101 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,0,0,0,0,0|4,0,0]=4 128 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,0,0,0,0|4,0,0]=4 131 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,0,0,0,0|4,0,0]=4 132 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,0,0|2,0,2]=4 135 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,0,0,0,0,0|2,0,1]=3 136 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|1,0,1]=3 164 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|1,0,1]=3 165 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,0,0,0,0|1,0,0]=2 221 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|1,0,1]=3 224 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|1,0,1]=3 226 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,0]=3 245 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|3,0,0]=4 277 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|1,0,1]=3 289 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|1,0,1]=3 297 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|1,0,2]=4 298 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|1,0,2]=4 307 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|1,0,2]=4 308 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|1,0,2]=4 311 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|1,0,0]=2 312 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|1,0,0]=2 313 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|1,0,0]=2 323 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 324 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|1,0,0]=2 340 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|1,0,0]=2 345 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 351 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 354 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 367 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 368 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 369 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 370 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 378 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 379 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 380 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 383 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 384 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 388 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 389 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 390 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 405 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 406 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 407 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 408 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 409 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 410 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 411 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 412 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 413 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 414 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 417 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 423 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 428 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 430 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 437 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 441 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 442 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 450 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 457 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 458 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 459 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 460 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 461 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 462 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 466 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 469 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 470 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 489 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 492 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,0|1,0,2]=4 501 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,0|0,0,3]=4 502 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|1,0,2]=4 503 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|1,0,2]=4 504 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,1,0,0,0,0|3,0,0]=4 505 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|2,0,0]=3 513 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|2,0,0]=3 515 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|2,0,0]=3 516 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|2,0,0]=3 517 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|1,0,0]=2 518 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|2,0,0]=3 519 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000225692_100000747473 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000739694_100000038162 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.5 C#CCN(C)CC(=O)N 34a_100000225692_100000187820 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,0,0,0,0|1,0,1]=3 532 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,0,0,0,0|1,0,1]=3 533 B8R0.5 C#CCN(C)CC(=O)[O-] 34a_100000225692_100020667443 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,0,0,0,0|1,0,1]=3 535 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,1,0,0,0,0|3,0,0]=4 536 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.5 C=C(C)CN(C)CCF 2230a_100000225649_100011217306 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.5 C=C(C)CN(C)CCF 269982a_100000225649_100011217306 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 542 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 546 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|1,0,2]=4 551 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.5 C=C(F)CN(C)CCO 2230a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.5 C=C(F)CN(C)CCO 269982a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,0,0,0,0|1,0,1]=3 559 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,0,0,0,0|1,0,1]=3 560 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,1,0,0,0,0|1,0,2]=4 561 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|1,0,2]=4 583 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|1,0,2]=4 584 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|1,0,2]=4 588 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|1,0,0]=2 590 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|1,0,0]=2 591 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|1,0,0]=2 602 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,0|1,0,1]=3 603 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,0,0,0,0|2,0,1]=4 609 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,0|1,0,0]=2 625 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,0|1,0,0]=2 626 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,0|2,0,0]=3 632 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000739694_100011215382 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000748184_100000747473 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,0,0,0,0|1,0,1]=3 637 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,0,0,0,0|2,0,0]=3 638 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|1,0,0]=2 639 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,0,0,0,0|2,0,0]=3 640 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|1,0,0]=2 643 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|1,0,0]=2 644 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,0,0,0,0|1,0,1]=3 645 B8R0.5 CN(CCO)C[N+](=O)[O-] 269982a_100000210263_100000761209 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.5 CNCC(C)CN(C)C 2230a_106832991635_100015348159 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.5 CNCC(C)CN(C)C 7a_106832991635_100015348159 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|1,0,0]=2 649 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,0|1,0,2]=4 651 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|1,0,0]=2 653 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,0|1,0,2]=4 661 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|1,0,0]=2 665 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,0|1,0,2]=4 673 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|1,0,0]=2 674 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|1,0,0]=2 675 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.16 C=C(C)CN(CC)CF 269982a_100000211296_100015361967 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.16 C=C(F)CN(CC)CC 2230a_100000724800_100009893438 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.16 C=C(F)CN(CC)CC 269956a_100000042499_100000042424 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.16 C=C(F)CN(CC)CC 269982a_100000724800_100009893438 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,0|1,0,0]=2 687 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,0|1,0,0]=2 699 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,1,0,0,0,0|1,0,1]=3 701 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,1,0,0,0,0|1,0,1]=3 702 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.16 CCN(CC)C[N+](=O)[O-] 269956a_100000042499_100000761209 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.16 CCN(CC)C[N+](=O)[O-] 269982a_100000724800_100000761209 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,0|1,0,0]=2 713 B8R0.16 CCN(CF)C[C@H](C)O 269982a_100000729506_100015361967 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,0,0,0,0|2,0,0]=3 717 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,0|0,0,0]=1 718 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,0|0,0,0]=1 719 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,0|1,0,0]=2 720 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.16 O=C([O-])CN(CO)CF 269956a_100016989150_100015361967 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,0|1,0,0]=2 725 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,0|1,0,0]=2 727 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,0|1,0,0]=2 729 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,1,0,0,0,0|1,0,2]=4 731 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,1,0,0,0,0|1,0,2]=4 732 B8R0.19 C=C(C#N)CN(C)CC 2230a_100000225621_100000694840 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.19 C=C(C#N)CN(C)CC 269982a_100000225621_100000694840 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,0|1,0,0]=2 736 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,0|2,0,0]=3 737 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,0|1,0,0]=2 738 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|1,0,2]=4 745 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,0,0,0,0|1,0,2]=4 746 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|1,0,2]=4 747 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 748 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 749 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 750 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,0|1,0,2]=4 753 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,0|1,0,2]=4 754 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 755 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 756 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,0|1,0,2]=4 757 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|1,0,1]=3 759 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|1,0,1]=3 761 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|1,0,0]=2 763 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|1,0,0]=2 764 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|2,0,0]=3 765 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|2,0,0]=3 766 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,0|2,0,0]=3 767 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|1,0,0]=2 769 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|2,0,0]=3 770 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 775 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|1,0,0]=2 781 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|0,0,0]=1 782 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 784 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 785 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 786 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 790 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,0,0,0,0|3,0,0]=4 791 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|1,0,0]=2 795 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 798 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 799 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 801 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|2,0,0]=3 802 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|2,0,0]=3 811 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|1,0,0]=2 812 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 825 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 826 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|1,0,0]=2 827 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,0,0,0,0|1,0,2]=4 830 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,0,0,0,0|1,0,2]=4 831 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,0,0,0,0|1,0,2]=4 836 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|0,0,0]=1 837 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 851 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,0|1,0,0]=2 852 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 853 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,0|1,0,0]=2 856 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|1,0,0]=2 858 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|1,0,0]=2 859 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,0|2,0,0]=3 865 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.23 C=C(F)CN(C)C(C)C 269982a_200000211004_100009893438 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 879 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,0|1,0,2]=4 889 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|1,0,0]=2 892 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|1,0,1]=3 894 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.23 CC(C)N(C)C[N+](=O)[O-] 269982a_200000211004_100000761209 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,0|1,0,2]=4 899 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,0|1,0,2]=4 904 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,0|1,0,2]=4 906 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,0|1,0,0]=2 918 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,0|1,0,0]=2 920 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 923 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,0|2,0,0]=3 924 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,0|1,0,0]=2 925 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,0|1,0,0]=2 926 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,0|1,0,0]=2 930 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,0|2,0,0]=3 931 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,1,0,0|2,0,1]=4 932 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,1,0,0|2,0,1]=4 933 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|2,0,0]=3 934 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,1,0,0|2,0,1]=4 935 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|2,0,0]=3 936 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|2,0,0]=3 937 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,1,0,0|2,0,1]=4 938 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|2,0,0]=3 939 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|2,0,0]=3 940 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|2,0,0]=3 941 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|2,0,0]=3 942 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|2,0,0]=3 943 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|2,0,0]=3 945 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|2,0,0]=3 946 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|2,0,0]=3 947 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 949 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 952 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 953 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 954 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 958 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,0]=3 962 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,0]=2 963 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 964 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 965 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 966 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 969 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,0]=3 974 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,0]=2 975 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 976 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 977 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|3,0,0]=4 979 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|2,0,0]=3 985 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|2,0,0]=3 986 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|2,0,0]=3 987 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|1,0,0]=2 988 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|1,0,0]=2 989 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,0,0,1,0,0|3,0,0]=4 990 B8R1.34 C=C(F)CN1CCC1 269982a_100000754969_100009893438 [0,0,0,1,0,0|3,0,0]=4 991 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,0|1,0,2]=4 992 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,0|1,0,0]=2 993 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,0|1,0,0]=2 994 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,0|2,0,0]=3 995 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,0|2,0,0]=3 996 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,0|2,0,0]=3 999 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,0|2,0,0]=3 1001 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,0|3,0,0]=4 1002 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,0|3,0,0]=4 1003 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,0|3,0,0]=4 1004 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,0|3,0,0]=4 1008 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,0|3,0,0]=4 1009 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,0,0,1,0,0|3,0,0]=4 1012 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,0,0,1,0,0|3,0,0]=4 1014 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,0,0,1,0,0|3,0,0]=4 1015 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,0,0,1,0,0|3,0,0]=4 1016 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,0,0,1,0,0|3,0,0]=4 1017 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,0,0,1,0,0|3,0,0]=4 1018 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,0|2,0,0]=3 1020 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,0|1,0,1]=3 1021 B8R1.34 O=[N+]([O-])CN1CCC1 269982a_100000754969_100000761209 [0,0,0,1,0,0|2,0,1]=4 1022 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,0|1,0,2]=4 1023 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,0|1,0,0]=2 1024 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,0|2,0,0]=3 1025 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,0|1,0,0]=2 1029 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,0|2,0,0]=3 1030 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 1031 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 1032 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 1033 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,0|2,0,0]=3 1034 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,0|1,0,0]=2 1035 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|1,0,0]=2 1037 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|1,0,0]=2 1038 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,0|2,0,1]=4 1039 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1040 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1043 B8R1.53 CCN1CC(C1)(C)O 2230a_100000718560_100000210202 [0,0,0,1,0,0|2,0,1]=4 1044 B8R1.53 CCN1CC(C1)(C)O 269982a_100000718560_100000204670 [0,0,0,1,0,0|2,0,1]=4 1045 B8R1.53 CNC1CS(=O)(=O)C1 2230a_100000695474_200000210301 [0,0,0,1,0,0|2,0,1]=4 1046 B8R1.53 CNC1CS(=O)(=O)C1 34a_100000695474_200000210301 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.53 CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_200000210301 [0,0,0,1,0,0|2,0,1]=4 1048 B8R1.53 COC1CS(=O)(=O)C1 34a_100000072295_200000210301 [0,0,0,1,0,0|2,0,1]=4 1049 B8R1.53 COC1CS(=O)(=O)C1 7a_100000072295_200000210301 [0,0,0,1,0,0|2,0,1]=4 1050 B8R1.53 C[C@@]1(C[C@H](C1)N[13CH3])O 2230a_100121572536_200025704644 [0,0,0,1,0,0|2,0,1]=4 1051 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 2230a_100000695474_200025704644 [0,0,0,1,0,0|2,0,1]=4 1052 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 34a_100000695474_200025704644 [0,0,0,1,0,0|2,0,1]=4 1053 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 34a_100000072295_200025704644 [0,0,0,1,0,0|2,0,1]=4 1054 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 7a_100000072295_200025704644 [0,0,0,1,0,0|2,0,1]=4 1055 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,0,0,1,0|1,0,2]=4 1056 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,1,0|1,0,2]=4 1057 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,1,0|1,0,2]=4 1058 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,1,0|3,0,0]=4 1059 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,1,0|1,0,2]=4 1060 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,1,0|1,0,2]=4 1061 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,0,0,1,0|2,0,1]=4 1062 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,0,0,1,0|2,0,1]=4 1063 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,1,0|2,0,0]=3 1064 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,1,0|2,0,0]=3 1065 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,1,0|2,0,0]=3 1066 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,1,0|3,0,0]=4 1067 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,0,0,1,0|2,0,1]=4 1068 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,1,0|2,0,0]=3 1069 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,1,0|2,0,0]=3 1070 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,1,0|1,0,0]=2 1071 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,1,0|1,0,0]=2 1072 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,1,0|1,0,0]=2 1073 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,1,0|3,0,0]=4 1074 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,1,0|3,0,0]=4 1075 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,1,0|3,0,0]=4 1076 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,1,0|3,0,0]=4 1077 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,1,0|3,0,0]=4 1078 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,1,0|3,0,0]=4 1079 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,1,0|2,0,0]=3 1080 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,1,0|2,0,0]=3 1081 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,1,0|2,0,0]=3 1082 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,1,0|2,0,0]=3 1083 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,1,0|2,0,0]=3 1084 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,1,0|2,0,0]=3 1085 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,1,0|2,0,0]=3 1086 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,1,0|2,0,0]=3 1087 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,1,0|2,0,0]=3 1088 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,1,0|2,0,0]=3 1089 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,1,0|2,0,0]=3 1090 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,1,0|3,0,0]=4 1091 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,1,0|3,0,0]=4 1092 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,1,0|3,0,0]=4 1093 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,1,0|2,0,1]=4 1094 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,1,0|1,0,0]=2 1095 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,1,0|2,0,0]=3 1096 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,1,0|2,0,0]=3 1097 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,1,0|2,0,0]=3 1098 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,1,0|2,0,0]=3 1099 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,1,0|2,0,0]=3 1100 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,1,0|2,0,0]=3 1101 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,1,0|3,0,0]=4 1102 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,1,0|2,0,1]=4 1103 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,1,0|1,0,1]=3 1104 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,1,0|2,0,0]=3 1105 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,1,0|2,0,0]=3 1106 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,1,0|2,0,0]=3 1107 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,1,0|2,0,0]=3 1108 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,1,0|2,0,0]=3 1109 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,1,0|2,0,0]=3 1110 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,1,0|2,0,0]=3 1111 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,1,0|2,0,0]=3 1112 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,1,0|3,0,0]=4 1113 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,1,0|3,0,0]=4 1114 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,1,0|2,0,1]=4 1115 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,1,0|2,0,1]=4 1116 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,1,0|2,0,0]=3 1117 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,1,0|2,0,0]=3 1118 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,1,0|2,0,0]=3 1119 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,1,0|2,0,0]=3 1120 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,1,0|1,0,0]=2 1121 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,1,0|1,0,1]=3 1122 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,1,0|3,0,0]=4 1123 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,1,0|3,0,0]=4 1124 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,1,0|3,0,0]=4 1125 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,1,0|2,0,1]=4 1126 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,1,0|2,0,1]=4 1127 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,0,0,0,0,1|1,0,2]=4 1128 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,0,0,0,0,1|1,0,2]=4 1129 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,0,0,0,0,1|0,0,2]=3 1130 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,0,0,0,0,1|0,0,3]=4 1131 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,0,0,0,0,1|1,0,2]=4 1132 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,0,0,0,0,1|1,0,2]=4 1133 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,0,0,0,0,1|0,0,3]=4 1134 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,0,0,0,0,1|1,0,2]=4 1135 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,0,0,0,0,1|1,0,2]=4 1136 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,0,0,0,0,1|0,0,3]=4 1137 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,0,1|3,0,0]=4 1138 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,0,0,0,0,1|3,0,0]=4 1139 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,0,0,0,0,1|3,0,0]=4 1140 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,1|2,0,0]=3 1141 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,0,0,0,0,1|3,0,0]=4 1142 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,1|2,0,0]=3 1143 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,1|2,0,0]=3 1144 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,0,0,0,0,1|3,0,0]=4 1145 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,0,0,0,0,1|3,0,0]=4 1146 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 1147 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,0,0,0,0,1|3,0,0]=4 1148 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,1|2,0,0]=3 1149 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,1|2,0,0]=3 1150 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,0,0,0,0,1|3,0,0]=4 1151 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,0,0,0,0,1|3,0,0]=4 1152 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,0,0,0,0,1|3,0,0]=4 1153 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,0,0,0,0,1|3,0,0]=4 1154 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,0,0,0,0,1|3,0,0]=4 1155 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,0,0,0,0,1|2,0,0]=3 1156 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,0,0,0,0,1|3,0,0]=4 1157 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,0,0,0,0,1|2,0,0]=3 1158 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,0,0,0,0,1|2,0,0]=3 1159 B8R0.9 C=C(F)COC(C)CF 34a_100016041109_100009893438 [0,0,0,0,0,1|3,0,0]=4 1160 B8R0.9 C=C(F)COC(C)CF 7a_100016041109_100000042424 [0,0,0,0,0,1|3,0,0]=4 1161 B8R0.9 C=C(F)COC(C)CN 34a_100000210904_100009893438 [0,0,0,0,0,1|3,0,0]=4 1162 B8R0.9 C=C(F)COC(C)CO 34a_200010262243_100012180447 [0,0,0,0,0,1|3,0,0]=4 1163 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,0,0,0,0,1|2,0,0]=3 1164 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,0,0,0,0,1|2,0,0]=3 1165 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,0,0,0,0,1|3,0,0]=4 1166 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [0,0,0,0,0,1|3,0,0]=4 1167 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [0,0,0,0,0,1|3,0,0]=4 1168 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,0,0,0,0,1|3,0,0]=4 1169 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,0,0,0,0,1|3,0,0]=4 1170 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,1|0,0,2]=3 1171 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,0,0,0,0,1|1,0,2]=4 1172 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,0,0,0,0,1|0,0,3]=4 1173 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,0,0,0,0,1|1,0,2]=4 1174 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,0,0,0,0,1|0,0,3]=4 1175 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,1|2,0,0]=3 1176 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,1|2,0,0]=3 1177 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,1|2,0,0]=3 1178 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,0,0,0,0,1|3,0,0]=4 1179 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,0,0,0,0,1|3,0,0]=4 1180 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,0,0,0,0,1|3,0,0]=4 1181 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,0,0,0,0,1|3,0,0]=4 1182 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,0,0,0,0,1|2,0,1]=4 1183 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,0,0,0,0,1|2,0,1]=4 1184 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,0,0,0,0,1|1,0,1]=3 1185 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,0,0,0,0,1|2,0,1]=4 1186 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,0,0,0,0,1|1,0,2]=4 1187 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,0,0,0,0,1|2,0,1]=4 1188 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,0,0,0,0,1|2,0,1]=4 1189 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,0,0,0,0,1|1,0,2]=4 1190 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,0,0,0,0,1|1,0,2]=4 1191 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,0,0,0,0,1|2,0,0]=3 1192 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,0,0,0,0,1|2,0,0]=3 1193 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,0,0,0,0,1|1,0,1]=3 1194 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,0,0,0,0,1|2,0,1]=4 1195 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,0,0,0,0,1|2,0,1]=4 1196 B8R0.9 CC(CF)OC[N+](=O)[O-] 34a_100016041109_100000761209 [0,0,0,0,0,1|2,0,1]=4 1197 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,1|2,0,0]=3 1198 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,1|1,0,1]=3 1199 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,1|2,0,1]=4 1200 B8R0.9 CC(CN)OC[N+](=O)[O-] 34a_100000210904_100000761209 [0,0,0,0,0,1|2,0,1]=4 1201 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,0,0,0,0,1|2,0,0]=3 1202 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,0,0,0,0,1|2,0,0]=3 1203 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,0,0,0,0,1|1,0,1]=3 1204 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,0,0,0,0,1|2,0,1]=4 1205 B8R0.9 CC(CO)SC[N+](=O)[O-] 62a_100012180447_100000761209 [0,0,0,0,0,1|2,0,1]=4 1206 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,0,0,0,0,1|2,0,1]=4 1207 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,0,0,0,0,1|2,0,1]=4 1208 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,0,0,0,0,1|2,0,1]=4 1209 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,0,0,0,0,1|2,0,1]=4 1210 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,0,0,0,0,1|2,0,1]=4 1211 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,0,0,0,0,1|2,0,1]=4 1212 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,0,0,0,0,1|2,0,1]=4 1213 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,0,0,0,0,1|2,0,1]=4 1214 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,0,0,0,0,1|2,0,1]=4 1215 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,1|2,0,1]=4 1216 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,1|2,0,1]=4 1217 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,1|2,0,1]=4 1218 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,1|2,0,1]=4 1219 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,1|2,0,1]=4 1220 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,1|2,0,1]=4 1221 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,1|2,0,1]=4 1222 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,1|2,0,1]=4 1223 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,1|2,0,1]=4 1224 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,1|2,0,1]=4 1225 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,1|1,0,0]=2 1226 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,1|1,0,0]=2 1227 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,1|1,0,0]=2 1228 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,1|1,0,0]=2 1229 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,1|1,0,0]=2 1230 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,1|1,0,0]=2 1231 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,0,0,0,0,1|2,0,1]=4 1232 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,0,0,0,0,1|2,0,1]=4 1233 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,0,0,0,0,1|2,0,1]=4 1234 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,0,0,0,1|2,0,1]=4 1235 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,0,0,0,0,1|2,0,1]=4 1236 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,0,0,0,0,1|2,0,1]=4 1237 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,1|1,0,0]=2 1238 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,1|1,0,0]=2 1239 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,1|0,0,0]=1 1240 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,0,0,0,0,1|2,0,1]=4 1241 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,0,0,0,0,1|2,0,1]=4 1242 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,0,0,0,0,1|2,0,1]=4 1243 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,0,0,0,0,1|2,0,1]=4 1244 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,0,0,0,1|1,0,1]=3 1245 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,0,0,0,1|1,0,1]=3 1246 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,0,0,0,1|1,0,1]=3 1247 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,0,0,0,0,1|2,0,1]=4 1248 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,0,0,0,0,1|2,0,1]=4 1249 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,0,0,0,1|1,0,1]=3 1250 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,1|2,0,0]=3 1251 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,1|1,0,0]=2 1252 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,1|1,0,0]=2 1253 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,0,0,0,0,1|2,0,1]=4 1254 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,0,0,0,1|2,0,1]=4 1255 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,0,0,0,1|2,0,1]=4 1256 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,0,0,0,0,1|2,0,1]=4 1257 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,0,1|1,0,1]=3 1258 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,0,0,0,0,1|2,0,1]=4 1259 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,0,0,0,0,1|2,0,1]=4 1260 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,0,0,0,0,1|2,0,1]=4 1261 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,0,0,0,0,1|2,0,1]=4 1262 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,0,1|1,0,1]=3 1263 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,1|1,0,0]=2 1264 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,1|1,0,0]=2 1265 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,1|0,0,1]=2 1266 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,1|0,0,1]=2 1267 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,0,0,0,0,1|2,0,1]=4 1268 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,0,0,0,0,1|2,0,1]=4 1269 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,0,0,0,1|1,0,1]=3 1270 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,0,0,0,1|1,0,1]=3 1271 B8R0.9 CCC(C)SCC(F)F 62a_100000758301_100011934356 [0,0,0,0,0,1|2,0,1]=4 1272 B8R0.9 CCC(C)SCC(F)F 62a_100011934356_100000758301 [0,0,0,0,0,1|2,0,1]=4 1273 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,0,0,0,1|1,0,1]=3 1274 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,0,0,0,1|1,0,1]=3 1275 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,0,0,0,0,1|1,0,1]=3 1276 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,1|2,0,0]=3 1277 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,1|2,0,0]=3 1278 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,1|2,0,0]=3 1279 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,0,0,0,0,1|3,0,0]=4 1280 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,0,0,0,0,1|3,0,0]=4 1281 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,1|2,0,0]=3 1282 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,1|2,0,0]=3 1283 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,1|2,0,0]=3 1284 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,1|2,0,0]=3 1285 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,1|2,0,0]=3 1286 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,1|2,0,0]=3 1287 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,1|2,0,0]=3 1288 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,0,0,0,0,1|2,0,1]=4 1289 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,0,0,0,0,1|2,0,1]=4 1290 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,1|2,0,0]=3 1291 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,1|2,0,0]=3 1292 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,1|3,0,0]=4 1293 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,1|3,0,0]=4 1294 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,0,0,0,0,1|2,0,1]=4 1295 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,0,0,0,0,1|2,0,1]=4 1296 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,0,0,0,1|2,0,1]=4 1297 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,0,0,0,1|2,0,1]=4 1298 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,0,0,0,0,1|2,0,1]=4 1299 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,0,0,0,0,1|2,0,1]=4 1300 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,1|2,0,0]=3 1301 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,1|1,0,0]=2 1302 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,1|2,0,0]=3 1303 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,1|2,0,0]=3 1304 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,1|1,0,1]=3 1305 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,1|1,0,1]=3 1306 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,0,0,0,0,1|2,0,1]=4 1307 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,0,0,0,0,1|2,0,1]=4 1308 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,0,0,0,0,1|2,0,1]=4 1309 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,0,0,0,0,1|2,0,1]=4 1310 B8R0.9 COC(C)SC[N+](=O)[O-] 62a_100009879195_100000761209 [0,0,0,0,0,1|2,0,1]=4 1311 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,1|2,0,0]=3 1312 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,1|2,0,0]=3 1313 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,1|2,0,0]=3 1314 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,1|2,0,0]=3 1315 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,0,0,0,0,1|2,0,0]=3 1316 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,1|1,0,0]=2 1317 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,0,0,0,0,1|2,0,1]=4 1318 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,0,0,0,0,1|2,0,0]=3 1319 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,0,0,0,0,1|2,0,0]=3 1320 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,0,0,0,0,1|1,0,1]=3 1321 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,0,0,0,0,1|1,0,1]=3 1322 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,0,0,0,0,1|2,0,1]=4 1323 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,0,0,0,0,1|2,0,1]=4 1324 B8R0.9 C[C@H](CO)SC[N+](=O)[O-] 62a_100016084084_100000761209 [0,0,0,0,0,1|2,0,1]=4 1325 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 1326 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 1327 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 1328 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 1329 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 1330 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 1331 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 1332 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 1333 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 1334 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1335 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 1336 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 1337 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 1338 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|2,0,0]=4 1339 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|2,0,0]=4 1340 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1341 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1342 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1343 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1344 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1345 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 1346 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1347 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1348 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 1349 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 1350 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 1351 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 1352 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 1353 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 1354 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1355 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1356 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1357 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1358 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1359 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1360 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 1361 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 1362 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 1363 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 1364 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 1365 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 1366 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 1367 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1368 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1369 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 1370 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1371 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 1372 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 1373 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 1374 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1375 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1376 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1378 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|2,0,0]=4 1380 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|2,0,0]=4 1381 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 1382 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1383 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1384 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1385 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1386 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1387 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1388 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1389 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1390 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 1391 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1392 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1393 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 1394 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1395 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 1396 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 1397 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 1398 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 1399 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 1400 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 1401 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1402 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 1403 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 1404 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 1405 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 1406 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1407 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1408 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 1409 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1410 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1411 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1412 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1413 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1414 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 1415 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1416 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1417 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1418 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 1419 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 1420 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 1421 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1422 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 1423 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 1424 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1425 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 1426 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 1427 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 1428 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 1429 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 1430 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 1431 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1432 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 1433 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 1434 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 1435 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1436 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 1437 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 1438 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1439 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1440 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 1441 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 1442 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|1,0,1]=4 1443 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|1,0,1]=4 1444 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [2,0,0,0,0,0|1,0,1]=4 1445 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [2,0,0,0,0,0|1,0,1]=4 1446 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [2,0,0,0,0,0|2,0,0]=4 1448 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1449 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,0]=3 1450 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,1]=4 1451 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|1,0,1]=4 1452 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|1,0,1]=4 1453 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|1,0,1]=4 1454 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|1,0,1]=4 1455 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|1,0,1]=4 1456 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 1457 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 1458 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 1459 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1460 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|1,0,1]=4 1461 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1462 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|1,0,1]=4 1463 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|1,0,1]=4 1464 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1465 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|1,0,1]=4 1466 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|1,0,1]=4 1467 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1468 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [2,0,0,0,0,0|2,0,0]=4 1469 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1470 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|1,0,1]=4 1471 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1472 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,0]=3 1473 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,0]=3 1474 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,0]=3 1475 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,0]=3 1476 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [2,0,0,0,0,0|2,0,0]=4 1477 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [2,0,0,0,0,0|2,0,0]=4 1478 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1479 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,0]=3 1480 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,0]=3 1481 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,0]=3 1482 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,0]=3 1483 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,0]=3 1484 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,0]=3 1485 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,0]=3 1486 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [1,1,0,0,0,0|0,0,2]=4 1487 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [1,1,0,0,0,0|0,0,2]=4 1488 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [1,1,0,0,0,0|0,0,2]=4 1489 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [1,1,0,0,0,0|1,0,1]=4 1490 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [1,1,0,0,0,0|1,0,1]=4 1492 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [1,1,0,0,0,0|1,0,1]=4 1493 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [1,1,0,0,0,0|1,0,1]=4 1494 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [1,1,0,0,0,0|0,0,2]=4 1495 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [1,1,0,0,0,0|0,0,2]=4 1496 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,1,0,0,0,0|0,0,2]=4 1498 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|0,0,2]=4 1499 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|2,0,0]=4 1500 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 1501 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 1502 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 1503 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 1504 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1505 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,1,0,0,0,0|2,0,0]=4 1506 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1507 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,1,0,0,0,0|2,0,0]=4 1508 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|1,0,0]=3 1509 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|1,0,0]=3 1510 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|2,0,0]=4 1511 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|2,0,0]=4 1512 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|1,0,0]=3 1513 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|1,0,0]=3 1514 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|1,0,0]=3 1519 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|1,0,0]=3 1520 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [1,1,0,0,0,0|1,0,1]=4 1527 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,0]=3 1530 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,0]=3 1531 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,0]=3 1534 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1535 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|1,0,1]=4 1536 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|1,0,1]=4 1537 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1539 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|2,0,0]=4 1540 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|0,0,1]=3 1544 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|0,0,1]=3 1545 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|1,0,1]=4 1547 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [1,1,0,0,0,0|1,0,1]=4 1548 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|0,0,0]=2 1549 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,1,0,0,0,0|1,0,1]=4 1550 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|0,0,1]=3 1552 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|0,0,1]=3 1553 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|0,0,1]=3 1554 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,1,0,0,0,0|2,0,0]=4 1556 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [1,1,0,0,0,0|1,0,1]=4 1557 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|0,0,0]=2 1558 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,0,1]=4 1561 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|0,0,1]=3 1562 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [1,1,0,0,0,0|1,0,1]=4 1564 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|0,0,0]=2 1565 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|0,0,0]=2 1566 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|0,0,1]=3 1569 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|0,0,1]=3 1570 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,1]=4 1575 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1585 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|1,0,1]=4 1587 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1588 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1591 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,1]=4 1592 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1593 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,1]=4 1594 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1596 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1598 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 1599 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 1600 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 1602 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,0]=3 1608 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,0]=3 1609 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,0]=3 1613 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,0]=3 1615 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,0]=3 1616 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|1,0,1]=4 1617 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 1618 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1627 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|0,0,2]=4 1628 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,0]=3 1629 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,1,0,0,0,0|1,0,1]=4 1631 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,1,0,0,0,0|1,0,1]=4 1634 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,1,0,0,0,0|1,0,1]=4 1635 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1637 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1639 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [1,1,0,0,0,0|1,0,1]=4 1640 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1641 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [1,1,0,0,0,0|1,0,1]=4 1644 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [1,1,0,0,0,0|1,0,1]=4 1645 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [1,1,0,0,0,0|1,0,1]=4 1646 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|1,0,0]=3 1648 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|1,0,0]=3 1649 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|1,0,0]=3 1650 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|1,0,0]=3 1651 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,1,0,0,0,0|1,0,1]=4 1652 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,1,0,0,0,0|1,0,1]=4 1653 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1660 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1662 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1663 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1664 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1665 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 1666 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 1667 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|1,0,0]=3 1668 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|1,0,0]=3 1669 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [1,1,0,0,0,0|2,0,0]=4 1670 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [1,1,0,0,0,0|2,0,0]=4 1671 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1672 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1673 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1685 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,0,1]=4 1687 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1688 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,0,1]=4 1689 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1693 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 1694 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1695 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 1696 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 1697 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 1698 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 1699 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 1705 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [1,1,0,0,0,0|1,0,1]=4 1708 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|0,0,1]=3 1709 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [1,1,0,0,0,0|2,0,0]=4 1710 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [1,1,0,0,0,0|2,0,0]=4 1711 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [1,1,0,0,0,0|2,0,0]=4 1712 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1713 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|0,0,1]=3 1714 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|0,0,1]=3 1715 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [1,1,0,0,0,0|2,0,0]=4 1716 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|0,0,1]=3 1718 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [1,1,0,0,0,0|1,0,1]=4 1721 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [1,1,0,0,0,0|1,0,1]=4 1722 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|0,0,1]=3 1723 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|0,0,1]=3 1724 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|2,0,0]=4 1726 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [1,1,0,0,0,0|1,0,1]=4 1727 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 1728 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 1729 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [1,1,0,0,0,0|1,0,1]=4 1730 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [1,1,0,0,0,0|1,0,1]=4 1731 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 1732 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1733 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 1734 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1736 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [1,1,0,0,0,0|1,0,1]=4 1737 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [1,1,0,0,0,0|1,0,1]=4 1738 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [1,1,0,0,0,0|1,0,1]=4 1739 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,1,0,0,0,0|1,0,1]=4 1741 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,1]=4 1744 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,1,0,0,0,0|2,0,0]=4 1745 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1749 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,2]=4 1750 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,1,0,0,0,0|2,0,0]=4 1751 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1753 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,1,0,0,0,0|1,0,1]=4 1755 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,1,0,0,0,0|1,0,1]=4 1756 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,1,0,0,0,0|1,0,1]=4 1757 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1764 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1765 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1766 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [1,1,0,0,0,0|2,0,0]=4 1771 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [1,1,0,0,0,0|2,0,0]=4 1773 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1775 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,1,0,0,0,0|2,0,0]=4 1776 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1777 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,1,0,0,0,0|2,0,0]=4 1779 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,1,0,0,0,0|2,0,0]=4 1780 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1781 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,1,0,0,0,0|2,0,0]=4 1782 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,1,0,0,0,0|2,0,0]=4 1783 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,1,0,0,0,0|2,0,0]=4 1787 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1797 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1803 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1805 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,1,0,0,0,0|1,0,0]=3 1811 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,1,0,0,0,0|1,0,0]=3 1812 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,1,0,0,0,0|1,0,0]=3 1813 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [1,1,0,0,0,0|1,0,1]=4 1814 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [1,1,0,0,0,0|1,0,1]=4 1817 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [1,1,0,0,0,0|1,0,1]=4 1818 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [1,1,0,0,0,0|1,0,1]=4 1819 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [1,1,0,0,0,0|1,0,1]=4 1820 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,1,0,0,0,0|1,0,0]=3 1822 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,0]=3 1823 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [1,1,0,0,0,0|1,1,0]=4 1825 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [1,1,0,0,0,0|1,1,0]=4 1826 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1828 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,1,0,0,0,0|2,0,0]=4 1830 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,1,0,0,0,0|1,0,0]=3 1831 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,0]=3 1832 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [1,1,0,0,0,0|2,0,0]=4 1833 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [1,1,0,0,0,0|1,1,0]=4 1834 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,0]=3 1835 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1836 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1837 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1838 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1839 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1840 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 1841 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1842 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|1,0,0]=3 1843 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|2,0,0]=4 1844 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|2,0,0]=4 1845 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1846 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1847 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,0]=3 1848 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|1,0,0]=3 1849 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 1850 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1855 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 1856 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|2,0,0]=4 1861 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 1864 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|2,0,0]=4 1869 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|2,0,0]=4 1870 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 1871 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 1874 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 1875 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 1877 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1879 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1880 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1881 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 1882 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 1883 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1884 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|2,0,0]=4 1889 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|2,0,0]=4 1890 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1891 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1892 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1893 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1894 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1896 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1897 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1899 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 1900 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1901 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 1902 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1905 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1906 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1907 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 1908 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1910 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1911 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1912 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,0]=2 1921 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 1924 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 1925 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 1926 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 1927 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 1928 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,1]=3 1929 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,0,1]=4 1930 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,0,1]=4 1931 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 1935 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,0]=3 1936 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,1]=3 1937 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,1]=3 1938 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,1]=4 1939 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,1]=4 1941 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,1]=4 1942 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|1,0,1]=4 1943 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 1944 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,1]=4 1945 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,1]=4 1946 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,0]=3 1947 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,0]=3 1948 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,0]=3 1949 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1950 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1951 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1952 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 1953 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1954 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,0]=3 1955 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 1956 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|2,0,0]=4 1957 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,0]=3 1958 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,0]=3 1959 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,0]=3 1960 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,0]=3 1961 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 1962 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,0]=3 1964 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 1969 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 1970 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1971 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 1972 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 1973 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1978 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1979 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1980 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1983 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 1985 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 1986 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 1987 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 1988 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1989 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1990 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 1991 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1992 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 1993 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1994 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1996 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 2000 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2001 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 2006 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 2009 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 2010 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 2012 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 2016 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 2017 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 2018 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2019 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2021 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2022 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 2023 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2024 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 2025 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 2027 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 2029 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 2030 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 2033 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 2034 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 2035 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 2036 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 2037 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 2038 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 2039 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2040 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2041 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 2042 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 2043 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 2044 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 2045 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 2046 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 2047 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 2049 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 2050 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2053 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 2054 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 2055 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 2056 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,0]=3 2057 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 2059 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 2060 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2061 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 2062 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 2063 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2064 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 2065 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 2066 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 2067 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 2068 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|2,0,0]=4 2069 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 2070 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2075 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 2076 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 2080 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 2084 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 2085 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2086 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 2087 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 2090 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 2091 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 2092 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2093 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 2096 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2097 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2098 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 2099 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2100 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 2101 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 2102 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 2104 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 2105 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 2108 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 2109 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 2110 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 2111 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 2112 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 2113 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2115 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2116 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2117 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|2,0,0]=4 2118 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 2119 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,1,0|2,0,0]=4 2120 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,1,0|2,0,0]=4 2121 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,1,0|2,0,0]=4 2122 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,1,0|2,0,0]=4 2123 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,1,0|2,0,0]=4 2124 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,1,0|2,0,0]=4 2125 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,1,0|2,0,0]=4 2126 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,1,0|2,0,0]=4 2127 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 2128 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 2129 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,1,0|2,0,0]=4 2130 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,1,0|2,0,0]=4 2131 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,1,0|2,0,0]=4 2132 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,1,0|2,0,0]=4 2133 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,1,0|1,0,0]=3 2134 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,1,0|1,0,0]=3 2135 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,1,0|1,0,0]=3 2136 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,1,0|1,0,0]=3 2137 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,1,0|2,0,0]=4 2138 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,1,0|2,0,0]=4 2139 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,1,0|2,0,0]=4 2140 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 2141 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 2142 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 2143 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,1,0|2,0,0]=4 2144 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 2145 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,1,0|2,0,0]=4 2146 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,1,0|2,0,0]=4 2147 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,1,0|2,0,0]=4 2148 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,1,0|2,0,0]=4 2149 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,1,0|2,0,0]=4 2150 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,1,0|2,0,0]=4 2151 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,1,0|2,0,0]=4 2152 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,1,0|2,0,0]=4 2153 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,1,0|2,0,0]=4 2154 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,1,0|2,0,0]=4 2155 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,1,0|2,0,0]=4 2156 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,1,0|0,0,2]=4 2157 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,1,0|0,0,2]=4 2158 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,1,0|1,0,0]=3 2159 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,1,0|1,0,0]=3 2160 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,1,0|1,0,0]=3 2161 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,1,0|1,0,0]=3 2162 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,1,0|1,0,0]=3 2163 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,1,0|1,0,0]=3 2164 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,1,0|1,0,0]=3 2165 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,1,0|1,0,0]=3 2166 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,1,0|1,0,0]=3 2167 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,1,0|1,0,0]=3 2168 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,1,0|1,0,0]=3 2169 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,1,0|1,0,0]=3 2170 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,1,0|1,0,0]=3 2171 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,1,0|1,0,0]=3 2172 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,1,0|1,0,0]=3 2173 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,1,0|1,0,0]=3 2174 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,1,0|1,0,0]=3 2175 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,1,0|2,0,0]=4 2176 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,1,0|2,0,0]=4 2177 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,1,0|2,0,0]=4 2178 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,1,0|2,0,0]=4 2179 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,1,0|0,0,0]=2 2180 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,1,0|0,0,0]=2 2181 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,1,0|1,0,1]=4 2182 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,1,0|1,0,1]=4 2183 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,1,0|1,0,1]=4 2184 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,1,0|1,0,1]=4 2185 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,1,0|1,0,0]=3 2186 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,1,0|2,0,0]=4 2187 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,1,0|2,0,0]=4 2188 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,1,0|2,0,0]=4 2189 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,1,0|2,0,0]=4 2190 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,1,0|1,0,0]=3 2191 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,1,0|2,0,0]=4 2192 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,1,0|2,0,0]=4 2193 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,1,0,0,0,1|2,0,0]=4 2194 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,1,0,0,0,1|2,0,0]=4 2195 B9R0.7 C=C(F)CNC(C)C(C)C 2230a_100000211541_100009893438 [0,1,0,0,0,1|2,0,0]=4 2196 B9R0.7 C=C(F)COC(C)C(C)C 7a_100000748068_100000042424 [0,1,0,0,0,1|2,0,0]=4 2197 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,1,0,0,0,1|1,0,1]=4 2198 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|0,0,1]=3 2199 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,1,0,0,0,1|1,0,1]=4 2200 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,1,0,0,0,1|0,0,2]=4 2201 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,1,0,0,0,1|1,0,1]=4 2202 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,1,0,0,0,1|1,0,1]=4 2203 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,1,0,0,0,1|0,0,2]=4 2204 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,1,0,0,0,1|0,0,2]=4 2205 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,1|2,0,0]=4 2206 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,1|2,0,0]=4 2207 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,1|2,0,0]=4 2208 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,1|2,0,0]=4 2209 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,1|2,0,0]=4 2210 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,1|2,0,0]=4 2211 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,1|2,0,0]=4 2212 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,1,0,0,0,1|1,0,1]=4 2213 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,1,0,0,0,1|1,0,1]=4 2214 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,1|1,0,0]=3 2215 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,1|1,0,1]=4 2216 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,1|1,0,0]=3 2217 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,1|1,0,1]=4 2218 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,1|2,0,0]=4 2219 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,1|2,0,0]=4 2220 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,1|2,0,0]=4 2221 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,1|2,0,0]=4 2222 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,1|2,0,0]=4 2223 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,1|2,0,0]=4 2224 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,1|2,0,0]=4 2225 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,1|1,0,1]=4 2226 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,1|1,0,1]=4 2227 B9R0.21 CCC(C)CNS(=O)(=O)C 40a_100020588543_100000738038 [0,1,0,0,0,1|1,0,1]=4 2228 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [0,1,0,0,0,1|1,0,1]=4 2229 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,1,0,0,0,1|1,0,1]=4 2230 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [0,1,0,0,0,1|1,0,1]=4 2231 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [0,1,0,0,0,1|1,0,1]=4 2232 B9R0.21 CCC(C)SCS(=O)(=O)N 62a_100000741382_100000758301 [0,1,0,0,0,1|1,0,1]=4 2233 B9R0.21 CCC(C)SCS(=O)(=O)N 62a_100000758301_100000741382 [0,1,0,0,0,1|1,0,1]=4 2234 B9R0.21 CCC(C)SCS(=O)(=O)[O-] 62a_100000758301_100009817235 [0,1,0,0,0,1|1,0,1]=4 2235 B9R0.21 CCC(C)SCS(=O)(=O)[O-] 62a_100009817235_100000758301 [0,1,0,0,0,1|1,0,1]=4 2236 B9R0.23 C#CC(C)N(C)CC(=O)O 269956a_100000746989_200000035995 [0,1,0,0,0,1|0,0,2]=4 2237 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,1|2,0,0]=4 2238 B9R0.23 C=C(C)CN(C)C(C)CC 2230a_100000225649_100000758301 [0,1,0,0,0,1|2,0,0]=4 2239 B9R0.23 C=C(C)CN(C)C(C)CC 2230a_100000741768_100000748629 [0,1,0,0,0,1|2,0,0]=4 2240 B9R0.23 C=C(C)CN(C)C(C)CC 269982a_100000225649_100000758301 [0,1,0,0,0,1|2,0,0]=4 2241 B9R0.23 C=C(C)CN(C)C(C)CC 269982a_100000741768_100000748629 [0,1,0,0,0,1|2,0,0]=4 2242 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,0,0,0,1|2,0,0]=4 2243 B9R0.23 C=C(F)CN(C)C(C)CC 2230a_100000741768_100009893438 [0,1,0,0,0,1|2,0,0]=4 2244 B9R0.23 C=C(F)CN(C)C(C)CC 269982a_100000741768_100009893438 [0,1,0,0,0,1|2,0,0]=4 2245 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [0,1,0,0,0,1|0,0,2]=4 2246 B9R0.23 CC(C#N)N(C)CC(=O)O 269956a_100000746989_100000184139 [0,1,0,0,0,1|1,0,1]=4 2247 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000693034_100000747473 [0,1,0,0,0,1|2,0,0]=4 2248 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000739694_100012180447 [0,1,0,0,0,1|2,0,0]=4 2249 B9R0.23 CC(CO)N(C)CC(=O)N 269982a_100000693034_100000187820 [0,1,0,0,0,1|2,0,0]=4 2250 B9R0.23 CC(CO)N(C)CC(=O)[O-] 269982a_100000693034_100020667443 [0,1,0,0,0,1|1,0,1]=4 2251 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,1|1,0,0]=3 2252 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,1|1,0,0]=3 2253 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,1|0,0,1]=3 2254 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,1|1,0,1]=4 2255 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,1|1,0,1]=4 2256 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,1,0,0,0,1|1,0,1]=4 2257 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,1,0,0,0,1|1,0,0]=3 2258 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,1,0,0,0,1|1,0,0]=3 2259 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,1,0,0,0,1|1,0,0]=3 2260 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|0,0,0]=2 2261 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,1,0,0,0,1|0,0,1]=3 2262 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000227577_100000758301 [0,1,0,0,0,1|1,0,1]=4 2263 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000741768_100011218427 [0,1,0,0,0,1|1,0,1]=4 2264 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000227577_100000758301 [0,1,0,0,0,1|1,0,1]=4 2265 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000741768_100011218427 [0,1,0,0,0,1|1,0,1]=4 2266 B9R0.23 CCC(C)N(C)C[C@@H](C)O 2230a_100000741768_100009817552 [0,1,0,0,0,1|1,0,1]=4 2267 B9R0.23 CCC(C)N(C)C[C@@H](C)O 269982a_100000741768_100009817552 [0,1,0,0,0,1|1,0,1]=4 2268 B9R0.23 CCC(C)N(C)C[N+](=O)[O-] 269982a_100000741768_100000761209 [0,1,0,0,0,1|1,0,1]=4 2269 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,1|2,0,0]=4 2270 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,1|1,0,1]=4 2271 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,1|2,0,0]=4 2272 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 2273 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 2274 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,0,0,0,1|2,0,0]=4 2275 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,0,0,0,1|2,0,0]=4 2276 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,1,0,0,0,1|2,0,0]=4 2277 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,1,0,0,0,1|2,0,0]=4 2278 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,1,0,0,0,1|1,0,1]=4 2279 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|1,0,0]=3 2280 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,1,0,0,0,1|2,0,0]=4 2281 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,1,0,0,0,1|1,0,1]=4 2282 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|1,0,0]=3 2283 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,1,0,0,0,1|0,0,2]=4 2284 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,1,0,0,0,1|0,0,2]=4 2285 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,1,0,0,0,1|0,0,2]=4 2286 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,1,0,0,0,1|0,0,2]=4 2287 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,1,0,0,0,1|0,0,2]=4 2288 B9R0.24 C=C(C#N)CNC(C)CC 2230a_100000209981_100000694840 [0,1,0,0,0,1|2,0,0]=4 2289 B9R0.24 C=C(C#N)CSC(C)CC 62a_100000758301_100000694840 [0,1,0,0,0,1|2,0,0]=4 2290 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,1|1,0,0]=3 2291 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,1|1,0,0]=3 2292 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,1,0,0,0,1|2,0,0]=4 2293 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,1|2,0,0]=4 2294 B9R0.24 C=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000185746 [0,1,0,0,0,1|2,0,0]=4 2295 B9R0.24 C=CC(=O)NC[C@@H](C)OC 240690a_100020591295_200121576911 [0,1,0,0,0,1|2,0,0]=4 2296 B9R0.24 C=CC(=O)NNC(C)CC 22a_100000718999_100000185746 [0,1,0,0,0,1|2,0,0]=4 2297 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,1|0,0,2]=4 2298 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,1|0,0,2]=4 2299 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,1,0,0,0,1|1,0,1]=4 2300 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,1,0,0,0,1|1,0,1]=4 2301 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,1,0,0,0,1|1,0,1]=4 2302 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,1,0,0,0,1|1,0,1]=4 2303 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,1,0,0,0,1|1,0,0]=3 2304 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,1,0,0,0,1|1,0,0]=3 2305 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,1|1,0,1]=4 2306 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,1|1,0,0]=3 2307 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,1|2,0,0]=4 2308 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,1|1,0,1]=4 2309 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,1|1,0,0]=3 2310 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,1|1,0,0]=3 2311 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,1,0,0,0,1|2,0,0]=4 2312 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,1,0,0,0,1|2,0,0]=4 2313 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,1|1,0,0]=3 2314 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,1|1,0,0]=3 2315 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,1,0,0,0,1|2,0,0]=4 2316 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,1,0,0,0,1|2,0,0]=4 2317 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,1,0,0,0,1|2,0,0]=4 2318 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,1,0,0,0,1|2,0,0]=4 2319 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,1,0,0,0,1|2,0,0]=4 2320 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,1|1,0,1]=4 2321 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,1|1,0,0]=3 2322 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,1|1,0,0]=3 2323 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,1|1,0,0]=3 2324 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,1|1,0,0]=3 2325 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,0,0,0,1|2,0,0]=4 2326 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,0,0,0,1|2,0,0]=4 2327 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,1|2,0,0]=4 2328 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,1|2,0,0]=4 2329 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,1|2,0,0]=4 2330 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,0,0,0,1|2,0,0]=4 2331 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,0,0,0,1|2,0,0]=4 2332 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,0,0,0,1|2,0,0]=4 2333 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,0,0,0,1|2,0,0]=4 2334 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,0,0,0,1|2,0,0]=4 2335 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,1|1,0,0]=3 2336 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,1|1,0,0]=3 2337 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,1|1,0,0]=3 2338 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,1|1,0,0]=3 2339 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,1|1,0,0]=3 2340 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,1|1,0,1]=4 2341 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,1|1,0,1]=4 2342 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,1|0,0,0]=2 2343 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,1|0,0,0]=2 2344 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,1|1,0,0]=3 2345 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,1|1,0,0]=3 2346 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,1|1,0,0]=3 2347 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,1|1,0,0]=3 2348 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,1|1,0,0]=3 2349 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,1|1,0,0]=3 2350 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,1,0,0,0,1|1,0,1]=4 2351 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,1,0,0,0,1|1,0,1]=4 2352 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,1,0,0,0,1|1,0,1]=4 2353 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,1,0,0,0,1|1,0,1]=4 2354 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,1,0,0,0,1|1,0,1]=4 2355 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,1,0,0,0,1|1,0,1]=4 2356 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,1,0,0,0,1|1,0,1]=4 2357 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,1,0,0,0,1|1,0,1]=4 2358 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,1|1,0,0]=3 2359 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,1|1,0,0]=3 2360 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,1|0,0,0]=2 2361 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,1,0,0,0,1|1,0,1]=4 2362 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,0,0,0,1|0,0,2]=4 2363 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,1,0,0,0,1|1,0,1]=4 2364 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,1,0,0,0,1|1,0,1]=4 2365 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,1,0,0,0,1|1,0,1]=4 2366 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,1,0,0,0,1|1,0,1]=4 2367 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,0,0,0,1|0,0,2]=4 2368 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,0,0,0,1|0,0,2]=4 2369 B9R0.24 CCC(C)NN=C(C)CO 4a_100000718999_100000211253 [0,1,0,0,0,1|2,0,0]=4 2370 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,1,0,0,0,1|1,0,0]=3 2371 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,1,0,0,0,1|2,0,0]=4 2372 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,1,0,0,0,1|2,0,0]=4 2373 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,1,0,0,0,1|2,0,0]=4 2374 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,1|1,0,0]=3 2375 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,1|1,0,0]=3 2376 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,1|0,0,0]=2 2377 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,1,0,0,0,1|1,0,1]=4 2378 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,0,0,0,1|0,0,2]=4 2379 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,1,0,0,0,1|1,0,1]=4 2380 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,1,0,0,0,1|1,0,1]=4 2381 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,0,0,0,1|0,0,2]=4 2382 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,1|1,0,0]=3 2383 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,1|1,0,0]=3 2384 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,1|0,0,0]=2 2385 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,1|0,0,0]=2 2386 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,0,0,0,1|0,0,2]=4 2387 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,0,0,0,1|0,0,2]=4 2388 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,1,0,0,0,1|1,0,1]=4 2389 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,1,0,0,0,1|1,0,1]=4 2390 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,1,0,0,0,1|1,0,1]=4 2391 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,1,0,0,0,1|1,0,1]=4 2392 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,0,0,0,1|0,0,2]=4 2393 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,0,0,0,1|0,0,2]=4 2394 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,1|2,0,0]=4 2395 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,1|2,0,0]=4 2396 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,1|1,0,0]=3 2397 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,1|1,0,0]=3 2398 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,1|2,0,0]=4 2399 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,1|2,0,0]=4 2400 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,1|2,0,0]=4 2401 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,1|2,0,0]=4 2402 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,0,0,0,1|1,0,1]=4 2403 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,0,0,0,1|1,0,1]=4 2404 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,0,0,0,1|1,0,1]=4 2405 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,1,0,0,0,1|1,0,1]=4 2406 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,1,0,0,0,1|1,0,1]=4 2407 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,1|2,0,0]=4 2408 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,1|2,0,0]=4 2409 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,1|2,0,0]=4 2410 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,1|2,0,0]=4 2411 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,1|2,0,0]=4 2412 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,1|2,0,0]=4 2413 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,1|1,0,0]=3 2414 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,1|1,0,0]=3 2415 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,1|1,0,0]=3 2416 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,1|1,0,0]=3 2417 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,1|1,0,0]=3 2418 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,1|1,0,0]=3 2419 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,1|1,0,0]=3 2420 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,1,0,0,0,1|1,0,1]=4 2421 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,1,0,0,0,1|1,0,1]=4 2422 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,1,0,0,0,1|1,0,1]=4 2423 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,1,0,0,0,1|1,0,1]=4 2424 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,1,0,0,0,1|1,0,1]=4 2425 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,1,0,0,0,1|1,0,1]=4 2426 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,1,0,0,0,1|1,0,1]=4 2427 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,1,0,0,0,1|2,0,0]=4 2428 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,1,0,0,0,1|2,0,0]=4 2429 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,1,0,0,0,1|2,0,0]=4 2430 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,1,0,0,0,1|2,0,0]=4 2431 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 2432 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,1,0,0,0,1|2,0,0]=4 2433 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,1,0,0,0,1|2,0,0]=4 2434 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,1,0,0,0,1|2,0,0]=4 2435 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,1,0,0,0,1|2,0,0]=4 2436 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,1,0,0,0,1|2,0,0]=4 2437 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,1,0,0,0,1|2,0,0]=4 2438 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,1,0,0,0,1|2,0,0]=4 2439 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,1,0,0,0,1|2,0,0]=4 2440 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,1,0,0,0,1|2,0,0]=4 2441 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,1,0,0,0,1|2,0,0]=4 2442 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,1,0,0,0,1|2,0,0]=4 2443 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,1,0,0,0,1|2,0,0]=4 2444 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,1,0,0,0,1|2,0,0]=4 2445 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,1,0,0,0,1|2,0,0]=4 2446 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,1,0,0,0,1|2,0,0]=4 2447 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,1,0,0,0,1|2,0,0]=4 2448 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,1,0,0,0,1|2,0,0]=4 2449 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,1|2,0,0]=4 2450 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,1,0,0,0,1|1,0,1]=4 2451 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,1|1,0,0]=3 2452 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,1,0,0,0,1|1,0,1]=4 2453 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,1|1,0,0]=3 2454 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,1|1,0,0]=3 2455 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,1|1,0,0]=3 2456 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,1,0,0,0,1|1,0,1]=4 2457 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,1,0,0,0,1|1,0,1]=4 2458 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,1|1,0,0]=3 2459 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,1|1,0,0]=3 2460 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,1|1,0,0]=3 2461 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,1|1,0,0]=3 2462 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,1|1,0,0]=3 2463 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,1,0,0,0,1|1,0,0]=3 2464 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,1,0,0,0,1|1,0,0]=3 2465 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,1,0,0,0,1|2,0,0]=4 2466 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,1,0,0,0,1|2,0,0]=4 2467 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,1,0,0,0,1|2,0,0]=4 2468 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,1,0,0,0,1|2,0,0]=4 2469 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,1|0,0,2]=4 2470 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,1|2,0,0]=4 2471 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,1|2,0,0]=4 2472 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,1,0,0,0,1|2,0,0]=4 2473 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,1|0,0,2]=4 2474 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|2,0,0]=4 2475 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,1|2,0,0]=4 2476 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|2,0,0]=4 2477 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|2,0,0]=4 2478 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|2,0,0]=4 2479 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|2,0,0]=4 2480 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,1|1,0,1]=4 2481 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 2482 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 2483 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 2484 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 2485 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,1,0,0,0,1|1,0,1]=4 2486 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,1|2,0,0]=4 2487 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,1|2,0,0]=4 2488 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,1|1,0,1]=4 2489 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 2490 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 2491 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,1|1,0,1]=4 2492 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 2493 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 2494 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,1|2,0,0]=4 2495 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,1|2,0,0]=4 2496 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,1|1,0,1]=4 2497 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,1|2,0,0]=4 2498 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,1|2,0,0]=4 2499 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,1|2,0,0]=4 2500 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,1|0,0,2]=4 2501 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,1|1,0,1]=4 2502 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,1|1,0,1]=4 2503 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,1|1,0,0]=3 2504 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,1|1,0,0]=3 2505 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,1|1,0,0]=3 2506 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,1|1,0,0]=3 2507 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,1|1,0,1]=4 2508 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,1|1,0,1]=4 2509 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,1|1,0,1]=4 2510 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,1|1,0,0]=3 2511 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,1|1,0,0]=3 2512 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,1|1,0,0]=3 2513 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|0,0,0]=2 2514 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,1|1,0,0]=3 2515 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,1|1,0,0]=3 2516 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,1|1,0,0]=3 2517 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,1|1,0,0]=3 2518 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,1|1,0,0]=3 2519 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,1|1,0,0]=3 2520 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,1|0,0,1]=3 2521 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,1|1,0,0]=3 2522 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,1|1,0,0]=3 2523 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,1|1,0,0]=3 2524 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,1|1,0,0]=3 2525 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,1|1,0,0]=3 2526 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,1|1,0,0]=3 2527 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,1|1,0,0]=3 2528 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,1|1,0,0]=3 2529 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,1|0,0,1]=3 2530 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,1|0,0,1]=3 2531 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,1|2,0,0]=4 2532 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,1|2,0,0]=4 2533 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,1|2,0,0]=4 2534 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,1|0,0,2]=4 2535 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,1|1,0,1]=4 2536 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,1|1,0,1]=4 2537 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|1,0,0]=3 2538 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,1|2,0,0]=4 2539 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,1|2,0,0]=4 2540 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,1|2,0,0]=4 2541 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,1|2,0,0]=4 2542 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,1,0,0,0,1|2,0,0]=4 2543 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,1,0,0,0,1|2,0,0]=4 2544 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,1,0,0,0,1|1,0,1]=4 2545 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,1,0,0,0,1|1,0,1]=4 2546 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,1|2,0,0]=4 2547 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|1,0,0]=3 2548 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,1|2,0,0]=4 2549 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,1|2,0,0]=4 2550 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,1|1,0,1]=4 2551 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,1|1,0,1]=4 2552 B9R0.43 C#CC(CC)OCC(=O)N 34a_100000758843_100000187820 [0,1,0,0,0,1|1,0,1]=4 2553 B9R0.43 C#CC(CC)OCC(=O)N 7a_100000758843_100000187820 [0,1,0,0,0,1|1,0,1]=4 2554 B9R0.43 C#CC(CC)OCC(=O)[O-] 34a_100000758843_100020667443 [0,1,0,0,0,1|0,0,2]=4 2555 B9R0.43 C=C(C)CNC(CC)CC 2230a_100000199018_100000748629 [0,1,0,0,0,1|2,0,0]=4 2556 B9R0.43 C=C(C)CN[C@@H](CC)CO 2230a_100000709445_100000748629 [0,1,0,0,0,1|2,0,0]=4 2557 B9R0.43 C=C(C)COC(CC)CC 7a_100000688536_100000748629 [0,1,0,0,0,1|2,0,0]=4 2558 B9R0.43 C=C(C)CSC(CC)CC 62a_100000210505_100000211660 [0,1,0,0,0,1|2,0,0]=4 2559 B9R0.43 C=C(C)CSC(CC)CC 62a_100000748629_100000210505 [0,1,0,0,0,1|2,0,0]=4 2560 B9R0.43 C=C(F)CNC(CC)CC 2230a_100000199018_100009893438 [0,1,0,0,0,1|2,0,0]=4 2561 B9R0.43 C=C(F)CN[C@@H](CC)CO 2230a_100000709445_100009893438 [0,1,0,0,0,1|2,0,0]=4 2562 B9R0.43 C=C(F)COC(CC)CC 7a_100000688536_100000042424 [0,1,0,0,0,1|2,0,0]=4 2563 B9R0.43 C=C(F)CSC(CC)CC 62a_100000042424_100000210505 [0,1,0,0,0,1|2,0,0]=4 2564 B9R0.43 C=C(F)CSC(CC)CC 62a_100000210505_100000042424 [0,1,0,0,0,1|2,0,0]=4 2565 B9R0.43 C=CC(CC)OCC(=O)N 34a_100000766422_100000187820 [0,1,0,0,0,1|1,0,1]=4 2566 B9R0.43 C=CC(CC)OCC(=O)N 7a_100000766422_100000187820 [0,1,0,0,0,1|1,0,1]=4 2567 B9R0.43 C=CC(CC)OCC(=O)[O-] 34a_100000766422_100020667443 [0,1,0,0,0,1|0,0,2]=4 2568 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,1,0,0,0,1|2,0,0]=4 2569 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,1,0,0,0,1|1,0,0]=3 2570 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,1,0,0,0,1|1,0,0]=3 2571 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,1,0,0,0,1|1,0,0]=3 2572 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,1,0,0,0,1|1,0,0]=3 2573 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,1,0,0,0,1|1,0,0]=3 2574 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,1,0,0,0,1|0,0,0]=2 2575 B9R0.43 CCC(CC)NCC(C)O 2230a_100000199018_100011218427 [0,1,0,0,0,1|1,0,1]=4 2576 B9R0.43 CCC(CC)NCC(C)O 270004a_100000210904_100000210860 [0,1,0,0,0,1|1,0,1]=4 2577 B9R0.43 CCC(CC)NC[C@@H](C)O 2230a_100000199018_100009817552 [0,1,0,0,0,1|1,0,1]=4 2578 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [0,1,0,0,0,1|2,0,0]=4 2579 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,1,0,0,0,1|1,0,0]=3 2580 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,1,0,0,0,1|1,0,0]=3 2581 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,1,0,0,0,1|1,0,0]=3 2582 B9R0.43 CCC(CC)OCC(C)O 7a_100000688536_100011218427 [0,1,0,0,0,1|1,0,1]=4 2583 B9R0.43 CCC(CC)OC[C@@H](C)O 7a_100000688536_100009817552 [0,1,0,0,0,1|1,0,1]=4 2584 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,1,0,0,0,1|1,0,0]=3 2585 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,1,0,0,0,1|1,0,0]=3 2586 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,1,0,0,0,1|0,0,1]=3 2587 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,1,0,0,0,1|0,0,1]=3 2588 B9R0.43 CCC(CC)SCC(C)O 62a_100000210505_100011218427 [0,1,0,0,0,1|1,0,1]=4 2589 B9R0.43 CCC(CC)SCC(C)O 62a_100011218427_100000210505 [0,1,0,0,0,1|1,0,1]=4 2590 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100000210505_100009817552 [0,1,0,0,0,1|1,0,1]=4 2591 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100009817552_100000210505 [0,1,0,0,0,1|1,0,1]=4 2592 B9R0.43 CCC(CC)SC[N+](=O)[O-] 62a_100000210505_100000761209 [0,1,0,0,0,1|1,0,1]=4 2593 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,1,0,0,0,1|1,0,0]=3 2594 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,1,0,0,0,1|1,0,0]=3 2595 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,1,0,0,0,1|1,0,0]=3 2596 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,1,0,0,0,1|1,0,0]=3 2597 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,1,0,0,0,1|2,0,0]=4 2598 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,1,0,0,0,1|2,0,0]=4 2599 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,1,0,0,0,1|2,0,0]=4 2600 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,1,0,0,0,1|2,0,0]=4 2601 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,1,0,0,0,1|2,0,0]=4 2602 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,1,0,0,0,1|2,0,0]=4 2603 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,1,0,0,0,1|2,0,0]=4 2604 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,1,0,0,0,1|2,0,0]=4 2605 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,1,0,0,0,1|2,0,0]=4 2606 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,1,0,0,0,1|2,0,0]=4 2607 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,1,0,0,0,1|2,0,0]=4 2608 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,1,0,0,0,1|1,0,0]=3 2609 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,1,0,0,0,1|1,0,1]=4 2610 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,1,0,0,0,1|1,0,1]=4 2611 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,1,0,0,0,1|2,0,0]=4 2612 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,1,0,0,0,1|2,0,0]=4 2613 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,1,0,0,0,1|2,0,0]=4 2614 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,1,0,0,0,1|2,0,0]=4 2615 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,1,0,0,0,1|2,0,0]=4 2616 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,1,0,0,0,1|2,0,0]=4 2617 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,1,0,0,0,1|2,0,0]=4 2618 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,1,0,0,0,1|2,0,0]=4 2619 B9R0.43 NC(=O)CNC(CO)CO 2230a_100000759517_100000747473 [0,1,0,0,0,1|2,0,0]=4 2620 B9R0.43 NC(=O)COC(CCl)CCl 7a_100000737055_100000187820 [0,1,0,0,0,1|2,0,0]=4 2621 B9R0.43 NC(=O)COC(CF)CF 34a_100000032261_100000187820 [0,1,0,0,0,1|2,0,0]=4 2622 B9R0.43 NC(=O)COC(CF)CF 7a_100000032261_100000187820 [0,1,0,0,0,1|2,0,0]=4 2623 B9R0.43 NC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000187820 [0,1,0,0,0,1|2,0,0]=4 2624 B9R0.43 NC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000187820 [0,1,0,0,0,1|2,0,0]=4 2625 B9R0.43 NCC(CN)OCC(=O)N 34a_100000031598_100000187820 [0,1,0,0,0,1|2,0,0]=4 2626 B9R0.43 NCC(CN)OCC(=O)[O-] 34a_100000031598_100020667443 [0,1,0,0,0,1|1,0,1]=4 2627 B9R0.43 O=C([O-])COC(CF)CF 34a_100000032261_100020667443 [0,1,0,0,0,1|1,0,1]=4 2628 B9R0.43 O=C([O-])CO[C@@H](CF)CCl 34a_100015614560_100020667443 [0,1,0,0,0,1|1,0,1]=4 2629 B9R0.48 C#CCC(C)OCC(=O)N 34a_100000685586_100000187820 [0,1,0,0,0,1|1,0,1]=4 2630 B9R0.48 C#CCC(C)OCC(=O)N 7a_100000685586_100000187820 [0,1,0,0,0,1|1,0,1]=4 2631 B9R0.48 C#CCC(C)OCC(=O)[O-] 34a_100000685586_100020667443 [0,1,0,0,0,1|0,0,2]=4 2632 B9R0.48 C/C=C/C(C)OCC(=O)N 34a_200102604097_100000187820 [0,1,0,0,0,1|1,0,1]=4 2633 B9R0.48 C/C=C/C(C)OCC(=O)[O-] 34a_200102604097_100020667443 [0,1,0,0,0,1|0,0,2]=4 2634 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,1|2,0,0]=4 2635 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,1,0,0,0,1|2,0,0]=4 2636 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,1,0,0,0,1|2,0,0]=4 2637 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,1,0,0,0,1|2,0,0]=4 2638 B9R0.48 C=C(C)CN[C@H](C)COC 2230a_100000764878_100000748629 [0,1,0,0,0,1|2,0,0]=4 2639 B9R0.48 C=C(C)COC(C)CCBr 34a_100012276601_100000748629 [0,1,0,0,0,1|2,0,0]=4 2640 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,1|2,0,0]=4 2641 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,1|2,0,0]=4 2642 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,1|2,0,0]=4 2643 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,1,0,0,0,1|2,0,0]=4 2644 B9R0.48 C=C(C)COC(C)COC 34a_100000210245_100000765312 [0,1,0,0,0,1|2,0,0]=4 2645 B9R0.48 C=C(C)CO[C@H](C)COC 34a_100011934205_100000748629 [0,1,0,0,0,1|2,0,0]=4 2646 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,1,0,0,0,1|2,0,0]=4 2647 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,1,0,0,0,1|2,0,0]=4 2648 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,1,0,0,0,1|2,0,0]=4 2649 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,1,0,0,0,1|2,0,0]=4 2650 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,1,0,0,0,1|2,0,0]=4 2651 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,1,0,0,0,1|2,0,0]=4 2652 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,1,0,0,0,1|2,0,0]=4 2653 B9R0.48 C=C(F)CN[C@H](C)CCO 2230a_100000706166_100009893438 [0,1,0,0,0,1|2,0,0]=4 2654 B9R0.48 C=C(F)CN[C@H](C)CCO 34a_100000706166_100009893438 [0,1,0,0,0,1|2,0,0]=4 2655 B9R0.48 C=C(F)CN[C@H](C)COC 2230a_100000764878_100009893438 [0,1,0,0,0,1|2,0,0]=4 2656 B9R0.48 C=C(F)COC(C)CCBr 34a_100012276601_100009893438 [0,1,0,0,0,1|2,0,0]=4 2657 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,1,0,0,0,1|2,0,0]=4 2658 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,1,0,0,0,1|2,0,0]=4 2659 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,1,0,0,0,1|2,0,0]=4 2660 B9R0.48 C=C(F)COC(C)CCO 34a_200010262243_100009893172 [0,1,0,0,0,1|2,0,0]=4 2661 B9R0.48 C=C(F)COC(C)COC 34a_200010262243_100000765312 [0,1,0,0,0,1|2,0,0]=4 2662 B9R0.48 C=C(F)CO[C@H](C)COC 34a_100011934205_100009893438 [0,1,0,0,0,1|2,0,0]=4 2663 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,1,0,0,0,1|2,0,0]=4 2664 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,1,0,0,0,1|2,0,0]=4 2665 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,1,0,0,0,1|2,0,0]=4 2666 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,1,0,0,0,1|2,0,0]=4 2667 B9R0.48 C=C(F)CSC(C)COC 62a_100000042424_100000765312 [0,1,0,0,0,1|2,0,0]=4 2668 B9R0.48 C=C(F)CSC(C)COC 62a_100000765312_100000042424 [0,1,0,0,0,1|2,0,0]=4 2669 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [0,1,0,0,0,1|1,0,1]=4 2670 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [0,1,0,0,0,1|1,0,1]=4 2671 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [0,1,0,0,0,1|0,0,2]=4 2672 B9R0.48 CC#CC(C)OCC(=O)N 34a_100011216543_100000187820 [0,1,0,0,0,1|1,0,1]=4 2673 B9R0.48 CC#CC(C)OCC(=O)[O-] 34a_100011216543_100020667443 [0,1,0,0,0,1|0,0,2]=4 2674 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,1|2,0,0]=4 2675 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,1|1,0,0]=3 2676 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,1|2,0,0]=4 2677 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,1|2,0,0]=4 2678 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,1,0,0,0,1|2,0,0]=4 2679 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,1|1,0,0]=3 2680 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,1|1,0,0]=3 2681 B9R0.48 CC(CC#N)NCC(=O)N 2230a_100000711301_100009813641 [0,1,0,0,0,1|1,0,1]=4 2682 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,1,0,0,0,1|0,0,1]=3 2683 B9R0.48 CC(CC#N)SCC(=O)N 62a_100000747473_100009813641 [0,1,0,0,0,1|1,0,1]=4 2684 B9R0.48 CC(CC#N)SCC(=O)N 62a_100009813641_100000747473 [0,1,0,0,0,1|1,0,1]=4 2685 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100009813641_100020667443 [0,1,0,0,0,1|0,0,2]=4 2686 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100020667443_100009813641 [0,1,0,0,0,1|0,0,2]=4 2687 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,1|1,0,0]=3 2688 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,1|0,0,1]=3 2689 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [0,1,0,0,0,1|1,0,1]=4 2690 B9R0.48 CC(CCBr)OC[N+](=O)[O-] 34a_100012276601_100000761209 [0,1,0,0,0,1|1,0,1]=4 2691 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,1|1,0,0]=3 2692 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,1|0,0,0]=2 2693 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,1|1,0,0]=3 2694 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,1|1,0,0]=3 2695 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,1|0,0,1]=3 2696 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,1|0,0,1]=3 2697 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,1,0,0,0,1|1,0,1]=4 2698 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,1,0,0,0,1|1,0,1]=4 2699 B9R0.48 CC(CCO)SC[N+](=O)[O-] 62a_100009893172_100000761209 [0,1,0,0,0,1|1,0,1]=4 2700 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,1,0,0,0,1|1,0,1]=4 2701 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,1,0,0,0,1|1,0,1]=4 2702 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,1,0,0,0,1|1,0,1]=4 2703 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,1,0,0,0,1|1,0,1]=4 2704 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [0,1,0,0,0,1|1,0,1]=4 2705 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,1,0,0,0,1|1,0,1]=4 2706 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,1,0,0,0,1|1,0,1]=4 2707 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,1|1,0,0]=3 2708 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,1|1,0,0]=3 2709 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,1|0,0,0]=2 2710 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,0,0,0,1|1,0,1]=4 2711 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,0,0,0,1|1,0,1]=4 2712 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,0,0,0,1|1,0,1]=4 2713 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,0,0,0,1|1,0,1]=4 2714 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,0,0,0,1|1,0,1]=4 2715 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,1|1,0,0]=3 2716 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,1|1,0,0]=3 2717 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,1|1,0,0]=3 2718 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,1|0,0,1]=3 2719 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,0,0,0,1|1,0,1]=4 2720 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,0,0,0,1|1,0,1]=4 2721 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,0,0,0,1|1,0,1]=4 2722 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,0,0,0,1|1,0,1]=4 2723 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,1,0,0,0,1|1,0,1]=4 2724 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,1|1,0,0]=3 2725 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,1|1,0,0]=3 2726 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,1|0,0,1]=3 2727 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,1|0,0,1]=3 2728 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,0,0,0,1|1,0,1]=4 2729 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,0,0,0,1|1,0,1]=4 2730 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,0,0,0,1|1,0,1]=4 2731 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,0,0,0,1|1,0,1]=4 2732 B9R0.48 CCCC(C)SC[N+](=O)[O-] 62a_100000766640_100000761209 [0,1,0,0,0,1|1,0,1]=4 2733 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,1|2,0,0]=4 2734 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,0,0,0,1|2,0,0]=4 2735 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,0,0,0,1|2,0,0]=4 2736 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,0,0,0,1|2,0,0]=4 2737 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,1|2,0,0]=4 2738 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,1|1,0,0]=3 2739 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,0,0,0,1|2,0,0]=4 2740 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,1|2,0,0]=4 2741 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,1|2,0,0]=4 2742 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,1|2,0,0]=4 2743 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,1|1,0,1]=4 2744 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,1|1,0,0]=3 2745 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,1|1,0,0]=3 2746 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,1|1,0,0]=3 2747 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,1|2,0,0]=4 2748 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,1|2,0,0]=4 2749 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,1|1,0,0]=3 2750 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,1,0,0,0,1|1,0,0]=3 2751 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,1|0,0,0]=2 2752 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [0,1,0,0,0,1|1,0,1]=4 2753 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [0,1,0,0,0,1|1,0,1]=4 2754 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [0,1,0,0,0,1|1,0,1]=4 2755 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,1|1,0,0]=3 2756 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,1,0,0,0,1|1,0,0]=3 2757 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,1,0,0,0,1|1,0,0]=3 2758 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,1,0,0,0,1|0,0,1]=3 2759 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,1,0,0,0,1|0,0,1]=3 2760 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,1,0,0,0,1|1,0,1]=4 2761 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,1,0,0,0,1|1,0,1]=4 2762 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,1,0,0,0,1|1,0,1]=4 2763 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,1,0,0,0,1|1,0,1]=4 2764 B9R0.48 COCC(C)SC[N+](=O)[O-] 62a_100000765312_100000761209 [0,1,0,0,0,1|1,0,1]=4 2765 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,1|2,0,0]=4 2766 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,1|2,0,0]=4 2767 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,1|2,0,0]=4 2768 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,1|2,0,0]=4 2769 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,1,0,0,0,1|1,0,0]=3 2770 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [0,1,0,0,0,1|1,0,1]=4 2771 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [0,1,0,0,0,1|1,0,1]=4 2772 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,1,0,0,0,1|1,0,0]=3 2773 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,1,0,0,0,1|0,0,1]=3 2774 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,1,0,0,0,1|1,0,1]=4 2775 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,1,0,0,0,1|1,0,1]=4 2776 B9R0.48 COC[C@@H](C)OC[N+](=O)[O-] 34a_100011934205_100000761209 [0,1,0,0,0,1|1,0,1]=4 2777 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,1|1,0,0]=3 2778 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,1|1,0,0]=3 2779 B9R0.48 CSCC(C)NCC(C)O 270004a_100000210904_100011216314 [0,1,0,0,0,1|1,0,1]=4 2780 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,1|2,0,0]=4 2781 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,1|2,0,0]=4 2782 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,0,0,0,1|2,0,0]=4 2783 B9R0.48 C[C@@H](CC#N)NCC(=O)N 2230a_100016994482_100000747473 [0,1,0,0,0,1|1,0,1]=4 2784 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,1|1,0,0]=3 2785 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,1|1,0,0]=3 2786 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,1|0,0,1]=3 2787 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,1,0,0,0,1|1,0,1]=4 2788 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,1|1,0,1]=4 2789 B9R0.48 C[C@H](CCO)NC[N+](=O)[O-] 34a_100000706166_100000761209 [0,1,0,0,0,1|1,0,1]=4 2790 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,1|1,0,1]=4 2791 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,1,0,0,0,1|0,0,2]=4 2792 B9R0.64 C=C(C)CNC(C)(C)CC 2230a_100000211385_100000748629 [0,1,0,0,0,1|2,0,0]=4 2793 B9R0.64 C=C(C)COC(C)(C)CC 7a_100000210230_100000748629 [0,1,0,0,0,1|2,0,0]=4 2794 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000032637_100000211660 [0,1,0,0,0,1|2,0,0]=4 2795 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000748629_100000032637 [0,1,0,0,0,1|2,0,0]=4 2796 B9R0.64 C=C(F)CNC(C)(C)CC 2230a_100000211385_100009893438 [0,1,0,0,0,1|2,0,0]=4 2797 B9R0.64 C=C(F)COC(C)(C)CC 7a_100000210230_100000042424 [0,1,0,0,0,1|2,0,0]=4 2798 B9R0.64 C=C(F)CSC(C)(C)CC 62a_100000032637_100000042424 [0,1,0,0,0,1|2,0,0]=4 2799 B9R0.64 C=C(F)CSC(C)(C)CC 62a_100000042424_100000032637 [0,1,0,0,0,1|2,0,0]=4 2800 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,1,0,0,0,1|2,0,0]=4 2801 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,1,0,0,0,1|2,0,0]=4 2802 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [0,1,0,0,0,1|2,0,0]=4 2803 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,1,0,0,0,1|2,0,0]=4 2804 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,1,0,0,0,1|1,0,0]=3 2805 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,0,0,0,1|0,0,0]=2 2806 B9R0.64 CCC(C)(C)NCC(C)O 2230a_100000211385_100011218427 [0,1,0,0,0,1|1,0,1]=4 2807 B9R0.64 CCC(C)(C)NC[C@@H](C)O 2230a_100000211385_100009817552 [0,1,0,0,0,1|1,0,1]=4 2808 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,1,0,0,0,1|1,0,0]=3 2809 B9R0.64 CCC(C)(C)OCC(C)O 7a_100000210230_100011218427 [0,1,0,0,0,1|1,0,1]=4 2810 B9R0.64 CCC(C)(C)OC[C@@H](C)O 7a_100000210230_100009817552 [0,1,0,0,0,1|1,0,1]=4 2811 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,1,0,0,0,1|1,0,0]=3 2812 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,1,0,0,0,1|1,0,0]=3 2813 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,1,0,0,0,1|0,0,1]=3 2814 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,1,0,0,0,1|0,0,1]=3 2815 B9R0.64 CCC(C)(C)SCC(C)O 62a_100000032637_100011218427 [0,1,0,0,0,1|1,0,1]=4 2816 B9R0.64 CCC(C)(C)SCC(C)O 62a_100011218427_100000032637 [0,1,0,0,0,1|1,0,1]=4 2817 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100000032637_100009817552 [0,1,0,0,0,1|1,0,1]=4 2818 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100009817552_100000032637 [0,1,0,0,0,1|1,0,1]=4 2819 B9R0.64 CCC(C)(C)SC[N+](=O)[O-] 62a_100000032637_100000761209 [0,1,0,0,0,1|1,0,1]=4 2820 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2821 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2822 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2823 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,1,0,0,0,1|2,0,0]=4 2824 B9R0.64 O=C(O)CNC(F)(F)CO 269956a_100016091260_100011217949 [0,1,0,0,0,1|2,0,0]=4 2825 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,2,0,0,0,0|1,0,1]=4 2826 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,2,0,0,0,0|1,0,1]=4 2827 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,2,0,0,0,0|2,0,0]=4 2833 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,2,0,0,0,0|1,0,1]=4 2834 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,2,0,0,0,0|1,0,1]=4 2835 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|1,0,0]=3 2839 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,2,0,0,0,0|2,0,0]=4 2841 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,2,0,0,0,0|2,0,0]=4 2842 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|1,0,0]=3 2844 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,2,0,0,0,0|2,0,0]=4 2845 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 34a_200000034949_100000210202 [0,2,0,0,0,0|1,0,1]=4 2847 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 7a_200000034949_100000210202 [0,2,0,0,0,0|1,0,1]=4 2848 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,2,0,0,0,0|1,0,0]=3 2849 B9R0.6 CN(CCO)C(F)C(=O)N 2230a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.6 CN(CCO)C(F)C(=O)N 269982a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 2851 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,2,0,0,0,0|1,0,0]=3 2852 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,2,0,0,0,0|1,0,0]=3 2853 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,2,0,0,0,0|2,0,0]=4 2854 B9R0.27 C=CC(=O)N(C)C(C)CC 1626a_100000741768_100000185746 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.27 C=CC(=O)N(C)C(C)CC 240690a_100000741768_200121576911 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,2,0,0,0,0|1,0,1]=4 2859 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|1,0,1]=4 2860 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|1,0,1]=4 2861 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 2864 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2865 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2868 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|1,0,0]=3 2872 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|1,0,0]=3 2873 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 2876 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 2877 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 2878 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 2879 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 2885 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|1,0,0]=3 2886 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|1,0,0]=3 2888 B9R0.27 CCN(C)C(F)C(=O)NC 2230a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.27 CCN(C)C(F)C(=O)NC 269982a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|1,0,1]=4 2893 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|1,0,1]=4 2894 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,1]=4 2895 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|1,0,1]=4 2896 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|1,0,1]=4 2897 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|1,0,1]=4 2898 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|1,0,1]=4 2899 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 2900 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|1,0,0]=3 2902 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.28 CCN(C)C(F)(F)C(=O)N 269982a_100000225621_100009811971 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.28 CCN(C)C(F)(F)C(=O)[O-] 269982a_100000225621_100000745680 [0,2,0,0,0,0|1,0,1]=4 2907 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [0,2,0,0,0,0|2,0,0]=4 2908 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [0,2,0,0,0,0|2,0,0]=4 2909 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [0,2,0,0,0,0|2,0,0]=4 2910 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [0,2,0,0,0,0|2,0,0]=4 2911 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2913 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|1,0,0]=3 2916 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|0,0,0]=2 2919 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|0,0,0]=2 2920 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|1,0,0]=3 2921 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|1,0,0]=3 2922 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|1,0,0]=3 2924 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|1,0,0]=3 2925 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2926 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2927 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2928 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2932 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.41 CCN(CC)C(F)C(=O)N 2230a_100000724800_100009813875 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.41 CCN(CC)C(F)C(=O)N 269982a_100000724800_100009813875 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.41 CCN(CF)C(C)C(=O)N 269982a_100020603310_100015361967 [0,2,0,0,0,0|2,0,0]=4 2943 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,2,0,0,0,0|2,0,0]=4 2944 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2945 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2946 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2947 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,2,0,0,0,0|2,0,0]=4 2948 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,2,0,0,0,0|2,0,0]=4 2949 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2950 B9R0.79 CC(C)N(C)C(F)C(=O)N 269982a_200000211004_100009813875 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.4 C#CCCN(C)CC(=O)N 2230a_100000739694_100000688953 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100000739694_100000754431 [0,2,0,0,0,0|2,0,0]=4 2955 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100020639649_100000747473 [0,2,0,0,0,0|2,0,0]=4 2956 B9R0.4 C=CCCN(C)CC(=O)N 269982a_100020639649_100000187820 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,2,0,0,0,0|1,0,0]=3 2958 B9R0.4 C=CCCN(C)CC(=O)[O-] 269982a_100020639649_100020667443 [0,2,0,0,0,0|1,0,1]=4 2959 B9R0.4 CC#CCN(C)CC(=O)N 2230a_100000739694_100000748600 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.4 CC#CCN(C)CC(=O)O 269956a_100000746989_100000748600 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.4 CC=CCN(C)CC(=O)N 2230a_100000739694_100000070051 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,2,0,0,0,0|2,0,0]=4 2971 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|1,0,0]=3 2974 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,2,0,0,0,0|1,0,1]=4 2975 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|1,0,0]=3 2978 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.4 CN(CCC#N)CC(=O)N 2230a_100000184479_100000747473 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.4 CN(CCC#N)CC(=O)N 2230a_100000739694_100011215226 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,2,0,0,0,0|1,0,0]=3 2982 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,2,0,0,0,0|1,0,0]=3 2983 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,2,0,0,0,0|2,0,0]=4 2984 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,2,0,0,0,0|1,0,0]=3 2985 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,2,0,0,0,0|1,0,0]=3 2989 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,2,0,0,0,0|1,0,1]=4 2990 B9R0.4 CN(CSC#N)CC(=O)O 269956a_100000746989_100000211825 [0,2,0,0,0,0|1,0,1]=4 2991 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,2,0,0,0,0|2,0,0]=4 2994 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,2,0,0,0,0|1,0,0]=3 2995 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,2,0,0,0,0|1,0,1]=4 2996 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,2,0,0,0,0|2,0,0]=4 2997 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,2,0,0,0,0|1,0,0]=3 3002 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,2,0,0,0,0|1,0,1]=4 3003 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,2,0,0,0,0|1,0,0]=3 3006 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,2,0,0,0,0|1,0,0]=3 3007 B9R0.14 C#CCN(CC)CC(=O)N 2230a_100000744766_100000747473 [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.14 C#CCN(CC)CC(=O)N 269982a_100000744766_100000187820 [0,2,0,0,0,0|2,0,0]=4 3009 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100000746405_100000184674 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100011236498_100000210202 [0,2,0,0,0,0|1,0,0]=3 3011 B9R0.14 C#CCN(CC)CC(=O)[O-] 269982a_100000744766_100020667443 [0,2,0,0,0,0|1,0,1]=4 3012 B9R0.14 C#CCN(CF)CC(=O)O 269956a_100011236498_100015361967 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [0,2,0,0,0,0|1,0,0]=3 3015 B9R0.14 C=CCN(CF)CC(=O)O 269956a_100000744315_100015361967 [0,2,0,0,0,0|1,0,1]=4 3016 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,2,0,0,0,0|2,0,0]=4 3022 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,2,0,0,0,0|2,0,0]=4 3024 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,2,0,0,0,0|2,0,0]=4 3025 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,2,0,0,0,0|2,0,0]=4 3026 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|1,0,0]=3 3027 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,2,0,0,0,0|1,0,1]=4 3028 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,2,0,0,0,0|2,0,0]=4 3030 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,2,0,0,0,0|2,0,0]=4 3031 B9R0.14 CCN(CC#N)CC(=O)O 269956a_100000746405_100011215382 [0,2,0,0,0,0|1,0,0]=3 3032 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [0,2,0,0,0,0|2,0,0]=4 3035 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,2,0,0,0,0|1,0,0]=3 3037 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,2,0,0,0,0|1,0,0]=3 3038 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [0,2,0,0,0,0|1,0,1]=4 3039 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,2,0,0,0,0|1,0,0]=3 3040 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,2,0,0,0,0|1,0,0]=3 3041 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,2,0,0,0,0|0,0,0]=2 3042 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,2,0,0,0,0|0,0,0]=2 3043 B9R0.14 CC[C@H](CC#N)NC(=O)C 11a_200009818565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.14 CC[C@H](CC#N)NC(=O)C 1626a_200009818565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.14 CC[C@H](CC#N)NC(=O)C 240690a_200009818565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.14 CC[C@H](CC#N)NC(=O)C 527a_200009818565_100103153847 [0,2,0,0,0,0|2,0,0]=4 3047 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,2,0,0,0,0|0,0,0]=2 3048 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,2,0,0,0,0|2,0,0]=4 3049 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.14 COCN(CO)CC(=O)[O-] 269956a_100016989150_100000766300 [0,2,0,0,0,0|1,0,1]=4 3051 B9R0.14 CSCN(CO)CC(=O)[O-] 269956a_100016989150_100011218213 [0,2,0,0,0,0|1,0,1]=4 3052 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,2,0,0,0,0|1,0,0]=3 3053 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [0,2,0,0,0,0|1,0,0]=3 3054 B9R0.14 O=C([O-])CN(CO)CCF 269956a_100016989150_100011217306 [0,2,0,0,0,0|1,0,1]=4 3055 B9R0.14 O=C([O-])CN(CO)CCO 269956a_100016989150_100000211926 [0,2,0,0,0,0|1,0,1]=4 3056 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|1,0,0]=3 3057 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,2,0,0,0,0|2,0,0]=4 3061 B9R0.34 C#CCC(=O)CN(C)CC 1458a_100116209913_100000184674 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,2,0,0,0,0|2,0,0]=4 3064 B9R0.34 C#CCC(=O)NC(C)CC 1626a_100000209981_100011220946 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.34 C#CCC(=O)NC(C)CC 527a_100000209981_100011220946 [0,2,0,0,0,0|2,0,0]=4 3066 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,2,0,0,0,0|1,0,1]=4 3067 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [0,2,0,0,0,0|2,0,0]=4 3075 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|0,0,2]=4 3076 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,2,0,0,0,0|1,0,0]=3 3077 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,2,0,0,0,0|1,0,0]=3 3078 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.34 C=CCC(=O)CN(C)CC 1458a_100116209913_100000210623 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|1,0,1]=4 3088 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|1,0,1]=4 3089 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,2,0,0,0,0|1,0,0]=3 3092 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,2,0,0,0,0|1,0,0]=3 3093 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|1,0,0]=3 3094 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|1,0,0]=3 3096 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|1,0,0]=3 3098 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|1,0,0]=3 3100 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|0,0,2]=4 3105 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|1,0,1]=4 3106 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|1,0,1]=4 3107 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|1,0,1]=4 3108 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,2,0,0,0,0|1,0,0]=3 3119 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,2,0,0,0,0|1,0,0]=3 3120 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|1,0,0]=3 3121 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|0,0,0]=2 3122 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|0,0,0]=2 3123 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|0,0,0]=2 3124 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|0,1,0]=3 3125 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|1,0,0]=3 3126 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.34 CCC(C)NC(=O)CC#N 1626a_100000209981_100051588842 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.34 CCC(C)NC(=O)CC#N 240690a_100000209981_100051588842 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|1,0,0]=3 3144 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 3148 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 3149 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 3150 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|1,0,0]=3 3151 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 3152 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 3153 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 3154 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 3155 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 3156 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,2,0,0,0,0|1,1,0]=4 3157 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,2,0,0,0,0|1,1,0]=4 3158 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,2,0,0,0,0|1,1,0]=4 3159 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,2,0,0,0,0|1,1,0]=4 3160 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 3162 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,2,0,0,0,0|2,0,0]=4 3164 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|2,0,0]=4 3169 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|1,0,0]=3 3171 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|1,0,0]=3 3172 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|1,1,0]=4 3173 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,0,1]=4 3175 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,1]=4 3177 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|1,0,0]=3 3185 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|1,0,0]=3 3191 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|0,0,0]=2 3194 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|1,0,0]=3 3195 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|1,0,0]=3 3214 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 3215 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 3216 B9R0.34 CCN(C)CC(=O)CC#N 1458a_100116209913_100011214920 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|1,0,0]=3 3219 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,2,0,0,0,0|1,0,0]=3 3220 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,2,0,0,0,0|1,0,0]=3 3221 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 3223 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 3224 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 3225 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|0,0,0]=2 3241 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 3244 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|1,0,0]=3 3249 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|1,0,0]=3 3250 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|1,0,0]=3 3251 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3252 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 3253 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3257 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|1,0,0]=3 3258 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|1,0,0]=3 3259 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|0,0,0]=2 3264 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|1,0,0]=3 3265 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|1,0,0]=3 3266 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|1,0,0]=3 3267 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 3268 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 3270 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|0,0,0]=2 3271 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|0,0,0]=2 3272 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,2,0,0,0,0|1,0,0]=3 3273 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,2,0,0,0,0|1,0,0]=3 3274 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,2,0,0,0,0|1,0,0]=3 3275 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,2,0,0,0,0|1,0,0]=3 3276 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|0,0,0]=2 3277 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|0,0,0]=2 3278 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|0,1,0]=3 3279 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 3280 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 3283 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 3284 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 3285 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|2,0,0]=4 3286 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 3288 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 3289 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 3290 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|2,0,0]=4 3292 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 3293 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 3294 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|1,0,0]=3 3299 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 3300 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 3301 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 3302 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 3303 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 3304 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 3305 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 3306 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 3307 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|1,0,0]=3 3308 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,2,0,0,0,0|1,0,1]=4 3310 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,2,0,0,0,0|1,0,1]=4 3312 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|1,0,0]=3 3313 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|1,0,0]=3 3314 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 3315 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 3316 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|1,0,0]=3 3317 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 3318 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|1,0,0]=3 3319 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 3320 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,0,0]=3 3323 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|1,0,0]=3 3330 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,2,0,0,0,0|1,0,0]=3 3331 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|1,0,0]=3 3333 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,1,0]=4 3334 B9R0.34 C[C@@H](CC#N)NC(=O)CO 240690a_100016994482_100000210174 [0,2,0,0,0,0|1,0,1]=4 3335 B9R0.34 C[C@@H](CC#N)NC(=O)CO 527a_100016994482_100000210174 [0,2,0,0,0,0|1,0,1]=4 3336 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 3342 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 3343 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000225649_100000747473 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000739694_100000748629 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.53 C=C(C)CN(C)CC(=O)N 269982a_100000225649_100000187820 [0,2,0,0,0,0|2,0,0]=4 3348 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.53 C=C(C)CN(C)CC(=O)[O-] 269982a_100000225649_100020667443 [0,2,0,0,0,0|1,0,1]=4 3350 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,2,0,0,0,0|1,0,1]=4 3351 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,2,0,0,0,0|2,0,0]=4 3364 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|1,0,0]=3 3365 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,2,0,0,0,0|1,0,1]=4 3366 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,2,0,0,0,0|2,0,0]=4 3369 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,2,0,0,0,0|1,0,1]=4 3371 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,2,0,0,0,0|1,0,1]=4 3372 B9R0.53 CN(CC(=O)N)CC(F)F 2230a_100000739694_100011934356 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,2,0,0,0,0|1,0,0]=3 3374 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,2,0,0,0,0|1,0,1]=4 3376 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,2,0,0,0,0|1,0,0]=3 3382 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,2,0,0,0,0|1,0,0]=3 3383 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,2,0,0,0,0|1,0,0]=3 3384 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|0,0,0]=2 3386 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|1,0,0]=3 3387 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,2,0,0,0,0|1,1,0]=4 3388 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,2,0,0,0,0|1,0,0]=3 3397 B9R0.26 C#CC(=O)CC(OC)OC 1458a_100000211873_100000751394 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.26 C=CC(=O)CC(OC)OC 1458a_100000185746_100000751394 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.26 C=CC(=O)NC(CC)CC 1626a_100000199018_100000185746 [0,2,0,0,0,0|2,0,0]=4 3401 B9R0.26 C=CC(=O)NC(CC)CC 240690a_100000199018_200121576911 [0,2,0,0,0,0|2,0,0]=4 3402 B9R0.26 C=CC(=O)N[C@@H](CC)CO 240690a_100000709445_200121576911 [0,2,0,0,0,0|2,0,0]=4 3403 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|1,0,0]=3 3404 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,2,0,0,0,0|1,0,1]=4 3417 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|0,0,0]=2 3418 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|1,0,0]=3 3435 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|1,0,0]=3 3436 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,2,0,0,0,0|0,0,0]=2 3438 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,2,0,0,0,0|0,0,0]=2 3439 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [0,2,0,0,0,0|1,0,0]=3 3441 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 3444 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 3451 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 3452 B9R0.26 COC(CC(=O)CF)OC 1458a_100000082724_100015361967 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [0,2,0,0,0,0|1,0,0]=3 3454 B9R0.26 O=C(CO)NC(CO)CO 240690a_100000759517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3455 B9R0.26 O=C(CO)NC(CO)CO 527a_100000759517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|0,0,0]=2 3461 B9R0.39 CC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000210206 [0,2,0,0,0,0|1,0,1]=4 3462 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|1,0,0]=3 3473 B9R0.39 CCN(CC(=O)[O-])C(C)C 269982a_100000223864_100020667443 [0,2,0,0,0,0|1,0,1]=4 3474 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3475 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3476 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|0,0,0]=2 3479 B9R0.63 C#CC(C)(CC)NC(=O)C 11a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.63 C#CC(C)(CC)NC(=O)C 1626a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.63 C#CC(C)(CC)NC(=O)C 240690a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.63 CCC(C)(C#N)NC(=O)C 11a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.63 CCC(C)(C#N)NC(=O)C 1626a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.63 CCC(C)(C#N)NC(=O)C 240690a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.63 CCC(C)(C#N)NC(=O)C 527a_100000741185_100103153847 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.22 C=CC(=O)NC(C)(C)CC 1626a_100000211385_100000185746 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.22 C=CC(=O)NC(C)(C)CC 240690a_100000211385_200121576911 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|1,0,0]=3 3499 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|1,0,0]=3 3500 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 3501 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 3502 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 3503 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,2,0,0,0,0|1,0,0]=3 3504 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,2,0,0,0,0|1,0,0]=3 3505 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,2,0,0,0,0|1,0,0]=3 3511 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 3512 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 3513 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|1,0,0]=3 3514 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|1,0,0]=3 3515 B9R0.10 CC(=O)CC(C)C(F)(F)F 1458a_100000031924_200000210301 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 3521 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,2,0,0,0,0|1,0,0]=3 3525 B9R0.10 CC(CC(=O)[13CH3])C(F)(F)F 1458a_100000031924_200025704644 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.10 CN(CC(=O)N)C(C)(C)C 269982a_100011215553_100000187820 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,2,0,0,0,0|1,0,0]=3 3529 B9R0.10 CN(CC(=O)O)C(F)(F)F 269956a_100000746989_200000243211 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.10 CN(CC(=O)[O-])C(C)(C)C 269982a_100011215553_100020667443 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,2,0,0,0,0|2,0,0]=4 3535 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|2,0,0]=4 3536 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [1,0,0,1,0,0|2,0,0]=4 3537 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,1,0,0|1,0,1]=4 3538 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,1,0,0|1,0,1]=4 3539 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,1,0,0|1,0,1]=4 3540 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,1,0,0|1,0,1]=4 3541 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,1,0,0|1,0,1]=4 3542 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,1,0,0|1,0,1]=4 3543 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,1,0,0|1,0,1]=4 3544 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,1,0,0|1,0,1]=4 3545 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,1,0,0|1,0,1]=4 3546 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,1,0,0|1,0,1]=4 3547 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [1,0,0,1,0,0|2,0,0]=4 3548 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,1,0,0|1,0,1]=4 3549 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,1,0,0|1,0,1]=4 3550 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,1,0,0|1,0,1]=4 3551 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,1,0,0|1,0,1]=4 3552 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,1,0,0|1,0,1]=4 3553 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|1,0,1]=4 3554 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|1,0,1]=4 3555 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 3556 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3557 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3558 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3559 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3560 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3561 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3562 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|1,0,1]=4 3563 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|1,0,1]=4 3564 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 3565 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3566 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3567 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3568 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3569 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3570 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3571 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3572 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3573 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3574 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3575 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3576 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3577 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 3578 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 3579 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 3580 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 3581 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [1,0,0,1,0,0|2,0,0]=4 3582 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 3583 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 3584 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|2,0,0]=4 3585 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 3586 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|2,0,0]=4 3587 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 3588 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|2,0,0]=4 3589 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|2,0,0]=4 3590 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|2,0,0]=4 3591 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|2,0,0]=4 3592 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|1,0,0]=3 3593 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|1,0,1]=4 3594 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 3595 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 3596 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|2,0,0]=4 3597 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|2,0,0]=4 3598 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|2,0,0]=4 3599 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [1,0,0,1,0,0|2,0,0]=4 3600 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [1,0,0,1,0,0|2,0,0]=4 3601 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 3602 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 3603 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 3604 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 3605 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [1,0,0,1,0,0|1,0,1]=4 3606 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [1,0,0,1,0,0|1,0,1]=4 3607 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|1,0,0]=3 3608 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [1,0,0,1,0,0|1,0,1]=4 3609 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|1,0,0]=3 3610 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [1,0,0,1,0,0|1,0,1]=4 3611 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [1,0,0,1,0,0|1,0,1]=4 3612 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [1,0,0,1,0,0|1,0,1]=4 3613 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [1,0,0,1,0,0|1,0,1]=4 3614 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [1,0,0,1,0,0|2,0,0]=4 3615 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,0,0,1,0,0|2,0,0]=4 3616 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [1,0,0,1,0,0|2,0,0]=4 3617 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,0,0,1,0,0|2,0,0]=4 3618 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [1,0,0,1,0,0|1,0,1]=4 3619 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 3620 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 3621 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 3622 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 3623 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 3624 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 3625 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 3626 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 3627 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 3628 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 3629 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 3630 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 3631 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 3632 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 3633 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 3634 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 3635 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 3636 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 3637 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 3638 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 3639 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 3640 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 3641 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 3642 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 3643 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,1,0|1,0,0]=3 3644 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,1,0|2,0,0]=4 3645 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,1,0|2,0,0]=4 3646 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,1,0|1,0,0]=3 3647 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,1,0|2,0,0]=4 3648 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,1,0|2,0,0]=4 3649 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,1|2,0,0]=4 3650 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,1|2,0,0]=4 3651 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,1|2,0,0]=4 3652 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,1|2,0,0]=4 3653 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,1|2,0,0]=4 3654 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,0,0,1,0,1|2,0,0]=4 3655 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,1|2,0,0]=4 3656 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,1|2,0,0]=4 3657 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,1|2,0,0]=4 3658 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,1|2,0,0]=4 3659 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,1|2,0,0]=4 3660 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,0,0,1,0,1|2,0,0]=4 3661 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|2,0,0]=4 3662 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,1|2,0,0]=4 3663 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,1|2,0,0]=4 3664 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,1|2,0,0]=4 3665 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 3666 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 3667 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 3668 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,1|2,0,0]=4 3669 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 3670 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 3671 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,1|1,0,0]=3 3672 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 3673 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 3674 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 3675 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,1|2,0,0]=4 3676 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|2,0,0]=4 3677 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 3678 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 3679 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 3680 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,1|2,0,0]=4 3681 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,1|2,0,0]=4 3682 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,1|2,0,0]=4 3683 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,1|1,0,1]=4 3684 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 3685 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 3686 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 3687 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 3688 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,0,0,1,0,1|2,0,0]=4 3689 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,0,0,1,0,1|2,0,0]=4 3690 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,0,0,1,0,1|2,0,0]=4 3691 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,1|2,0,0]=4 3692 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,1|2,0,0]=4 3693 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,0,0,1,0,1|2,0,0]=4 3694 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,0,0,1,0,1|2,0,0]=4 3695 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,0,0,1,0,1|1,0,1]=4 3696 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,0,0,1,0,1|1,0,1]=4 3697 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,1|1,0,0]=3 3698 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,1|1,0,0]=3 3699 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,1|0,0,1]=3 3700 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,1|0,0,1]=3 3701 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,0,0,1,0,1|1,0,1]=4 3702 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,0,0,1,0,1|1,0,1]=4 3703 B9R1.67 CC1CCN1C[N+](=O)[O-] 269982a_100000755817_100000761209 [0,0,0,1,0,1|1,0,1]=4 3704 B9R1.67 CC1CCN1C[N+](=O)[O-] 34a_100000755817_100000761209 [0,0,0,1,0,1|1,0,1]=4 3705 B9R1.80 CCC(C)NCC1CO1 2230a_100000209981_100011216344 [0,0,0,1,0,1|1,0,1]=4 3706 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,0,0,1,0,1|1,0,1]=4 3707 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,0,0,1,0,1|1,0,1]=4 3708 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,0,0,1,0,1|1,0,1]=4 3709 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,0,0,1,0,1|1,0,1]=4 3710 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,0,0,1,0,1|1,0,1]=4 3711 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,0,0,1,0,1|1,0,1]=4 3712 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,0,0,1,0,1|1,0,1]=4 3713 B9R1.82 CCC(C)N1CC(C1)O 269982a_100000749847_100000758301 [0,0,0,1,0,1|1,0,1]=4 3714 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,0,0,1,0,1|2,0,0]=4 3715 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,1,0,1|2,0,0]=4 3716 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,1,0,1|2,0,0]=4 3717 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,1,0,1|2,0,0]=4 3718 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,1,0,1|2,0,0]=4 3719 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,1,0,1|2,0,0]=4 3720 B9R1.84 C=C(F)CNC1CCC1 2230a_100000749019_100009893438 [0,0,0,1,0,1|2,0,0]=4 3721 B9R1.84 C=C(F)CNC1CCC1 34a_100000749019_100009893438 [0,0,0,1,0,1|2,0,0]=4 3722 B9R1.84 C=C(F)COC1CCC1 34a_100000748187_100009893438 [0,0,0,1,0,1|2,0,0]=4 3723 B9R1.84 C=C(F)COC1CCC1 34a_200010262243_100000749161 [0,0,0,1,0,1|2,0,0]=4 3724 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,0,0,1,0,1|2,0,0]=4 3725 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,1|2,0,0]=4 3726 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,1|1,0,0]=3 3727 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,1|2,0,0]=4 3728 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,1|1,0,0]=3 3729 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,1|1,0,0]=3 3730 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,1|1,0,0]=3 3731 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,1|1,0,0]=3 3732 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,1|2,0,0]=4 3733 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,1|2,0,0]=4 3734 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,1|2,0,0]=4 3735 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,1|2,0,0]=4 3736 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,1|2,0,0]=4 3737 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,1|2,0,0]=4 3738 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,1|2,0,0]=4 3739 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,1|2,0,0]=4 3740 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,1,0,1|2,0,0]=4 3741 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,1|2,0,0]=4 3742 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,0,0,1,0,1|1,0,1]=4 3743 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,0,0,1,0,1|1,0,1]=4 3744 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,1|1,0,1]=4 3745 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,0,0,1,0,1|1,0,1]=4 3746 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,0,0,1,0,1|1,0,1]=4 3747 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,0,0,1,0,1|1,0,1]=4 3748 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,0,0,1,0,1|1,0,1]=4 3749 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,0,0,1,0,1|1,0,1]=4 3750 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,0,0,1,0,1|1,0,1]=4 3751 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,0,0,1,0,1|1,0,1]=4 3752 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,1,0,1|2,0,0]=4 3753 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,1|1,0,0]=3 3754 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,1|1,0,0]=3 3755 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,0,0,1,0,1|2,0,0]=4 3756 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,1|1,0,0]=3 3757 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,0,0,1,0,1|2,0,0]=4 3758 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,1|1,0,0]=3 3759 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,0,0,1,0,1|2,0,0]=4 3760 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,1|0,0,0]=2 3761 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,1|1,0,0]=3 3762 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,1|0,0,1]=3 3763 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,1|0,0,1]=3 3764 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,1|0,0,1]=3 3765 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,0,0,1,0,1|1,0,1]=4 3766 B9R1.84 O=[N+]([O-])CNC1CCC1 34a_100000749019_100000761209 [0,0,0,1,0,1|1,0,1]=4 3767 B9R1.84 O=[N+]([O-])COC1CCC1 34a_100000748187_100000761209 [0,0,0,1,0,1|1,0,1]=4 3768 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,1|2,0,0]=4 3769 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,0,0,1,0,1|2,0,0]=4 3770 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,0,0,1,0,1|2,0,0]=4 3771 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,0,0,1,0,1|2,0,0]=4 3772 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,0,0,1,0,1|2,0,0]=4 3773 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,0,0,1,0,1|2,0,0]=4 3774 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,0,0,1,0,1|2,0,0]=4 3775 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,1|1,0,0]=3 3776 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,1|1,0,0]=3 3777 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,1|1,0,0]=3 3778 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,1|1,0,0]=3 3779 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,0,1,0,1|2,0,0]=4 3780 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,0,0,1,0,1|2,0,0]=4 3781 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,1|1,0,0]=3 3782 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,1|2,0,0]=4 3783 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,1|2,0,0]=4 3784 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,0,0,1,0,1|2,0,0]=4 3785 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,0,0,1,0,1|2,0,0]=4 3786 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,0,0,1,0,1|2,0,0]=4 3787 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,0,0,1,0,1|2,0,0]=4 3788 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,0,0,1,0,1|2,0,0]=4 3789 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,0,0,1,0,1|2,0,0]=4 3790 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,0,0,1,0,1|2,0,0]=4 3791 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,0,0,1,0,1|2,0,0]=4 3792 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,1|2,0,0]=4 3793 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,1|1,0,0]=3 3794 B9R1.147 C=C(C)CNC1(CC1)C 2230a_100000757604_100000748629 [0,0,0,1,0,1|2,0,0]=4 3795 B9R1.147 C=C(C)COC1(CC1)C 7a_100011725673_100000748629 [0,0,0,1,0,1|2,0,0]=4 3796 B9R1.147 C=C(F)CNC1(CC1)C 2230a_100000757604_100009893438 [0,0,0,1,0,1|2,0,0]=4 3797 B9R1.147 C=C(F)COC1(CC1)C 7a_100011725673_100000042424 [0,0,0,1,0,1|2,0,0]=4 3798 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 3799 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 3800 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 3801 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,1,0,1|1,0,0]=3 3802 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,0,0,1,0,1|2,0,0]=4 3803 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,0,0,1,0,1|2,0,0]=4 3804 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,0,0,1,0,1|2,0,0]=4 3805 B9R1.147 CC(O)CNC1(CC1)C 2230a_100000757604_100011218427 [0,0,0,1,0,1|1,0,1]=4 3806 B9R1.147 CC(O)COC1(CC1)C 7a_100011725673_100011218427 [0,0,0,1,0,1|1,0,1]=4 3807 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,1,0,1|1,0,0]=3 3808 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,1,0,1|1,0,0]=3 3809 B9R1.147 C[C@@H](O)CNC1(CC1)C 2230a_100000757604_100009817552 [0,0,0,1,0,1|1,0,1]=4 3810 B9R1.147 C[C@@H](O)COC1(CC1)C 7a_100011725673_100009817552 [0,0,0,1,0,1|1,0,1]=4 3811 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3812 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3813 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3814 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3815 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3816 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3817 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,1,0,0|1,0,0]=3 3818 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,1,0,0|2,0,0]=4 3819 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,1,0,0|2,0,0]=4 3820 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,1,0,0|2,0,0]=4 3822 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,1,0,0|2,0,0]=4 3823 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,1,0,1,0,0|2,0,0]=4 3824 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,1,0,1,0,0|2,0,0]=4 3825 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,1,0,1,0,0|2,0,0]=4 3826 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,1,0,1,0,0|2,0,0]=4 3827 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,1,0,0|2,0,0]=4 3828 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,1,0,0|1,0,0]=3 3829 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|1,0,1]=4 3830 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,1,0,0|2,0,0]=4 3831 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|1,0,0]=3 3832 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,1,0,0|2,0,0]=4 3833 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|1,0,0]=3 3834 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|1,0,0]=3 3835 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|1,0,1]=4 3836 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,1,0,0|2,0,0]=4 3837 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|1,0,0]=3 3838 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|1,0,0]=3 3839 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|1,0,0]=3 3840 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,1,0,1,0,0|2,0,0]=4 3841 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 3842 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 3843 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 3844 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 3845 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 3846 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,1,0,0|2,0,0]=4 3847 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|2,0,0]=4 3848 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|2,0,0]=4 3849 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 3850 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 3851 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 3852 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 3853 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,1,0,0|1,0,1]=4 3854 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|1,0,0]=3 3855 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|1,0,0]=3 3856 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,1,0,1,0,0|2,0,0]=4 3857 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3858 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3859 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3860 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,1,0,1,0,0|2,0,0]=4 3861 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,1,0,1,0,0|2,0,0]=4 3862 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,1,0,1,0,0|2,0,0]=4 3863 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,1,0,0|2,0,0]=4 3864 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|1,0,1]=4 3865 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|1,0,0]=3 3866 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|1,0,1]=4 3867 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|1,0,0]=3 3868 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|1,0,0]=3 3869 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|1,0,0]=3 3870 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|1,0,0]=3 3871 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|0,0,2]=4 3872 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 3873 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 3874 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 3875 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 3876 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 3877 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|1,0,0]=3 3878 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 3879 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 3880 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 3881 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 3882 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 3883 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|1,0,0]=3 3884 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 3885 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|0,0,2]=4 3886 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|2,0,0]=4 3887 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,0,0]=3 3888 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 3889 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 3890 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|1,0,0]=3 3891 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|2,0,0]=4 3892 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|1,0,0]=3 3893 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|0,0,2]=4 3894 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|0,0,2]=4 3895 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|2,0,0]=4 3896 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|2,0,0]=4 3897 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|1,0,0]=3 3898 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|1,0,0]=3 3899 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|2,0,0]=4 3900 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|2,0,0]=4 3901 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|2,0,0]=4 3902 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|1,0,0]=3 3903 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|1,0,0]=3 3904 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|2,0,0]=4 3905 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|2,0,0]=4 3906 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,1,0,1,0,0|2,0,0]=4 3907 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 3910 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 3911 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 3913 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,0,0]=3 3915 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 3916 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|0,0,2]=4 3917 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|0,0,2]=4 3918 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|1,0,0]=3 3921 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|1,0,0]=3 3922 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|2,0,0]=4 3924 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|1,0,0]=3 3925 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|1,0,0]=3 3926 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,1,0,1,0,0|1,0,1]=4 3927 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,1,0,1,0,0|1,0,1]=4 3928 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,1,0,1,0,0|1,0,1]=4 3929 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,1,0,0|1,0,0]=3 3930 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,1,0,0|1,0,0]=3 3931 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,1,0,0|1,0,0]=3 3932 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,1,0,0|1,0,0]=3 3933 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,1,0,0|1,0,0]=3 3934 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,1,0,0|2,0,0]=4 3936 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 3938 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 3939 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,1,0,1,0,0|2,0,0]=4 3940 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 3943 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 3944 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 3945 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,1,0,0|2,0,0]=4 3946 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,1,0,1,0,0|2,0,0]=4 3950 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,1,0,0|1,0,1]=4 3951 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,1,0,1,0,0|1,0,1]=4 3952 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,1,0,1,0,0|1,0,1]=4 3953 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,1,0,1,0,0|1,0,1]=4 3954 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,1,0,1,0,0|1,0,1]=4 3955 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,1,0,0|1,0,0]=3 3956 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,1,0,0|1,0,0]=3 3957 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 3959 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,1,0,1,0,0|1,0,1]=4 3961 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3962 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,1,0,1,0,0|2,0,0]=4 3966 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3967 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3968 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,1,0,1,0,0|2,0,0]=4 3970 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,1,0,1,0,0|2,0,0]=4 3971 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,1,0,1,0,0|2,0,0]=4 3972 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,1,0,1,0,0|2,0,0]=4 3973 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,1,0,1,0,0|1,0,1]=4 3976 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,1,0,1,0,0|1,0,1]=4 3977 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,1,0,1,0,0|0,0,0]=2 3978 B9R1.53 NC(=O)CN1CC(C1)F 2230a_100000690557_100000747473 [0,1,0,1,0,0|2,0,0]=4 3979 B9R1.53 NC(=O)CN1CC(C1)F 269982a_100000690557_100000187820 [0,1,0,1,0,0|2,0,0]=4 3980 B9R1.53 NC(=O)CN1CC(C1)F 34a_100000690557_100000187820 [0,1,0,1,0,0|2,0,0]=4 3981 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.53 O=C([O-])CN1CC(C1)F 269982a_100000690557_100020667443 [0,1,0,1,0,0|1,0,1]=4 3983 B9R1.53 O=C([O-])CN1CC(C1)F 34a_100000690557_100020667443 [0,1,0,1,0,0|1,0,1]=4 3984 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,1,0,1,0,0|1,0,1]=4 3985 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,1,0,1,0,0|0,0,0]=2 3986 B9R1.136 CCNC1CS(=O)(=O)C1 2230a_100000695474_100000210202 [0,1,0,1,0,0|1,0,1]=4 3987 B9R1.136 CCNC1CS(=O)(=O)C1 34a_100000695474_100000210202 [0,1,0,1,0,0|1,0,1]=4 3988 B9R1.136 CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210202 [0,1,0,1,0,0|1,0,1]=4 3989 B9R1.136 CCOC1CS(=O)(=O)C1 34a_100000072295_100000210202 [0,1,0,1,0,0|1,0,1]=4 3990 B9R1.136 CCOC1CS(=O)(=O)C1 7a_100000072295_100000210202 [0,1,0,1,0,0|1,0,1]=4 3991 B9R1.136 CNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_200000210301 [0,1,0,1,0,0|1,0,1]=4 3992 B9R1.136 C[C@@]1(C[C@H](C1)CN[13CH3])O 2230a_100015257651_200025704644 [0,1,0,1,0,0|1,0,1]=4 3993 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 3994 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 3995 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 3996 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,1,0,1,0,0|2,0,0]=4 3997 B9R1.137 CN(CC(=O)N)C1CC1 2230a_100000226674_100000747473 [0,1,0,1,0,0|2,0,0]=4 3998 B9R1.137 CN(CC(=O)N)C1CC1 269982a_100000226674_100000187820 [0,1,0,1,0,0|2,0,0]=4 3999 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|1,0,0]=3 4000 B9R1.137 CN(CC(=O)[O-])C1CC1 269982a_100000226674_100020667443 [0,1,0,1,0,0|1,0,1]=4 4001 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|1,0,0]=3 4002 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,1,0,1,0,0|1,0,0]=3 4003 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 4004 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 4005 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 4006 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,1,0,1,0,0|2,0,0]=4 4007 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 4008 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 4009 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,1,0,1,0,0|2,0,0]=4 4010 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 4011 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 4012 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,1,0,1,0,0|1,0,1]=4 4013 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|2,0,0]=4 4014 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 4015 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,1,0,1,0,0|1,0,1]=4 4016 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,1,0,1,0,0|1,0,1]=4 4017 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 4018 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 4019 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|1,0,1]=4 4020 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,0,0]=3 4021 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,1,0,1,0,0|1,0,1]=4 4022 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 4023 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 4024 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,0,0]=3 4025 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,1,0,1,0,0|1,0,1]=4 4026 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 4027 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 4028 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,0,0]=3 4029 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,0,0]=3 4030 B9R1.128 CC(=O)CC1(CC1)C#N 1458a_100000070787_100000695377 [0,1,0,1,0,0|1,0,1]=4 4031 B9R1.128 CC(=O)NC1(CC1)CF 11a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 4032 B9R1.128 CC(=O)NC1(CC1)CF 1626a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 4033 B9R1.128 CC(=O)NC1(CC1)CF 240690a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 4034 B9R1.128 CC(=O)NC1(CC1)CF 527a_100000054953_100103153847 [0,1,0,1,0,0|2,0,0]=4 4035 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [0,1,0,1,0,0|2,0,0]=4 4036 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 4038 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 4039 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 4040 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [0,1,0,1,0,0|2,0,0]=4 4041 B9R1.128 CCC1(CO1)CC(=O)C 1458a_100000070787_200000139556 [0,1,0,1,0,0|1,0,0]=3 4042 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4043 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4044 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4045 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4046 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|1,0,0]=3 4047 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,1,0,1,0,0|2,0,0]=4 4048 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,1,0,1,0,0|2,0,0]=4 4049 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|1,0,0]=3 4050 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,1,0,1,0,0|2,0,0]=4 4051 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,1,0,1,0,0|2,0,0]=4 4052 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,1,0,1,0,0|2,0,0]=4 4053 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,1,0,1,0,0|2,0,0]=4 4054 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|1,0,0]=3 4055 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|1,0,0]=3 4056 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|2,0,0]=4 4057 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|2,0,0]=4 4058 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|2,0,0]=4 4059 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,1,0,1,0,0|2,0,0]=4 4060 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 4061 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 4062 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 4063 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 4064 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|1,0,0]=3 4065 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 4066 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 4067 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 4068 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|2,0,0]=4 4069 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|2,0,0]=4 4070 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,1,0,1,0,0|2,0,0]=4 4071 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,1,0,1,0,0|2,0,0]=4 4072 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,1,0,1,0,0|2,0,0]=4 4073 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,1,0,1,0,0|2,0,0]=4 4074 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,1,0,1,0,0|2,0,0]=4 4075 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,1,0,1,0,0|2,0,0]=4 4076 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|1,0,0]=3 4077 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|1,0,0]=3 4078 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|2,0,0]=4 4079 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|0,0,0]=2 4080 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|1,0,0]=3 4081 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|1,0,0]=3 4082 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 4083 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 4084 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 4085 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 4086 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 4087 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 4088 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|1,0,0]=3 4089 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|1,0,0]=3 4090 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|1,0,0]=3 4091 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4092 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4093 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4094 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|1,0,0]=3 4095 B9R1.113 C#CC(=O)CC1(CO1)C 1458a_100000211873_100000760498 [0,1,0,1,0,0|2,0,0]=4 4096 B9R1.113 C=CC(=O)CC1(CO1)C 1458a_100000185746_100000760498 [0,1,0,1,0,0|2,0,0]=4 4097 B9R1.113 C=CC(=O)NC1(CC1)C 1626a_100000757604_100000185746 [0,1,0,1,0,0|2,0,0]=4 4098 B9R1.113 C=CC(=O)NC1(CC1)C 240690a_100000757604_200121576911 [0,1,0,1,0,0|2,0,0]=4 4099 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|1,0,0]=3 4100 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,1,0,0|1,0,0]=3 4101 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,1,0,0|1,0,0]=3 4102 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|1,0,0]=3 4103 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|1,0,0]=3 4104 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|2,0,0]=4 4105 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 4106 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 4107 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 4108 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 4109 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|1,0,0]=3 4110 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 4111 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 4112 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 4113 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 4114 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 4115 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 4116 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 4117 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,1,0,1,0,0|2,0,0]=4 4118 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,1,0,1,0,0|2,0,0]=4 4119 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,1,0,1,0,0|2,0,0]=4 4120 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,1,0|1,0,0]=3 4121 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,1,0|1,0,0]=3 4122 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,1,0|2,0,0]=4 4123 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 4124 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 4125 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 4126 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,1,0|2,0,0]=4 4127 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,1,0|2,0,0]=4 4128 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,1,0|2,0,0]=4 4129 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,1,0|1,0,0]=3 4130 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,1,0|2,0,0]=4 4131 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,1,0|2,0,0]=4 4132 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,1,0|2,0,0]=4 4133 B9R0.1 C#CC(C)NOCC(=O)O 269956a_100000106656_200000035995 [0,0,0,0,0,2|0,0,2]=4 4134 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,0,0,0,0,2|2,0,0]=4 4135 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,0,0,0,0,2|2,0,0]=4 4136 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,0,0,0,2|2,0,0]=4 4137 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,0,0,0,2|2,0,0]=4 4138 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,0,0,0,0,2|2,0,0]=4 4139 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,0,0,0,0,2|2,0,0]=4 4140 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,0,0,0,0,2|2,0,0]=4 4141 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,0,0,0,0,2|2,0,0]=4 4142 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,0,0,0,0,2|2,0,0]=4 4143 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,0,0,0,0,2|2,0,0]=4 4144 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,0,0,0,0,2|2,0,0]=4 4145 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,0,0,0,0,2|2,0,0]=4 4146 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,0,0,0,0,2|2,0,0]=4 4147 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,0,0,0,0,2|2,0,0]=4 4148 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,0,0,0,0,2|2,0,0]=4 4149 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,0,0,0,0,2|2,0,0]=4 4150 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,0,0,0,0,2|2,0,0]=4 4151 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,0,0,0,0,2|2,0,0]=4 4152 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,0,0,0,0,2|2,0,0]=4 4153 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,0,0,0,0,2|2,0,0]=4 4154 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,0,0,0,0,2|2,0,0]=4 4155 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,0,0,0,0,2|2,0,0]=4 4156 B9R0.1 C=CC(C)NOCC(=O)O 269956a_100000106656_100011215867 [0,0,0,0,0,2|0,0,2]=4 4157 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,0,0,0,0,2|2,0,0]=4 4158 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,0,0,0,0,2|2,0,0]=4 4159 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,0,0,0,0,2|2,0,0]=4 4160 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,0,0,0,0,2|2,0,0]=4 4161 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,0,0,0,0,2|2,0,0]=4 4162 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,0,0,0,0,2|2,0,0]=4 4163 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,0,0,0,0,2|2,0,0]=4 4164 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,0,0,0,0,2|2,0,0]=4 4165 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,0,0,0,0,2|2,0,0]=4 4166 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,0,0,0,0,2|2,0,0]=4 4167 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,0,0,0,0,2|2,0,0]=4 4168 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,0,0,0,0,2|2,0,0]=4 4169 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,0,0,0,0,2|2,0,0]=4 4170 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,0,0,0,0,2|2,0,0]=4 4171 B9R0.1 CC(C#N)NOCC(=O)O 269956a_100000106656_100000184139 [0,0,0,0,0,2|1,0,1]=4 4172 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,0,0,0,2|1,0,1]=4 4173 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,0,0,0,0,2|2,0,0]=4 4174 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,0,0,0,0,2|2,0,0]=4 4175 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,2|2,0,0]=4 4176 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,2|1,0,1]=4 4177 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,2|2,0,0]=4 4178 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,2|2,0,0]=4 4179 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,2|1,0,1]=4 4180 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,0,0,0,0,2|2,0,0]=4 4181 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,0,0,0,0,2|2,0,0]=4 4182 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,0,0,0,0,2|2,0,0]=4 4183 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,2|1,0,1]=4 4184 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,0,0,0,0,2|1,0,1]=4 4185 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,2|1,0,0]=3 4186 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,2|1,0,0]=3 4187 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,2|1,0,0]=3 4188 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,2|1,0,0]=3 4189 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,0,0,0,0,2|1,0,0]=3 4190 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,0,0,0,0,2|1,0,0]=3 4191 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,2|0,0,0]=2 4192 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,0,0,0,0,2|1,0,1]=4 4193 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,0,0,0,0,2|1,0,1]=4 4194 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,0,0,0,0,2|1,0,1]=4 4195 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,0,0,0,0,2|1,0,1]=4 4196 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,0,0,0,0,2|1,0,1]=4 4197 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,0,0,0,2|1,0,0]=3 4198 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,0,0,0,0,2|1,0,0]=3 4199 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,0,0,0,0,2|1,0,0]=3 4200 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,0,0,0,0,2|0,0,1]=3 4201 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,0,0,0,0,2|0,0,1]=3 4202 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,0,0,0,0,2|1,0,1]=4 4203 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,0,0,0,0,2|1,0,1]=4 4204 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,0,0,0,0,2|1,0,1]=4 4205 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,0,0,0,0,2|1,0,1]=4 4206 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,0,0,0,0,2|1,0,1]=4 4207 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,0,0,0,0,2|2,0,0]=4 4208 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,0,0,0,0,2|2,0,0]=4 4209 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,0,0,0,0,2|1,0,0]=3 4210 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,0,0,0,0,2|1,0,1]=4 4211 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,0,0,0,0,2|1,0,1]=4 4212 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,0,0,0,0,2|0,0,0]=2 4213 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,0,0,0,0,2|2,0,0]=4 4214 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,0,0,0,0,2|2,0,0]=4 4215 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,2|1,0,0]=3 4216 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,2|1,0,0]=3 4217 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,2|1,0,0]=3 4218 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,0,0,0,0,2|1,0,0]=3 4219 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,0,0,0,0,2|1,0,0]=3 4220 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,0,0,0,0,2|1,0,0]=3 4221 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,0,0,0,0,2|1,0,1]=4 4222 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,0,0,0,0,2|2,0,0]=4 4223 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,0,0,0,0,2|2,0,0]=4 4224 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,0,0,0,2|1,0,0]=3 4225 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,0,0,0,2|1,0,0]=3 4226 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,0,0,0,0,2|1,0,0]=3 4227 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,0,0,0,0,2|1,0,0]=3 4228 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,0,0,0,0,2|1,0,1]=4 4229 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,0,0,0,0,2|1,0,1]=4 4230 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,0,0,0,0,2|1,0,0]=3 4231 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,0,0,0,0,2|1,0,0]=3 4232 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,0,0,0,0,2|2,0,0]=4 4233 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,0,0,0,0,2|2,0,0]=4 4234 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,2|1,0,0]=3 4235 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,0,0,0,0,2|2,0,0]=4 4236 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,0,0,0,0,2|2,0,0]=4 4237 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,0,0,0,0,2|2,0,0]=4 4238 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,0,0,0,0,2|2,0,0]=4 4239 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,0,0,0,0,2|1,0,1]=4 4240 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,0,0,0,0,2|1,0,1]=4 4241 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,0,0,0,2|2,0,0]=4 4242 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,0,0,0,2|2,0,0]=4 4243 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,0,0,0,0,2|2,0,0]=4 4244 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,0,0,0,2|1,0,0]=3 4245 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,0,0,0,2|2,0,0]=4 4246 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,0,0,0,2|2,0,0]=4 4247 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,0,0,0,0,2|2,0,0]=4 4248 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,0,0,0,0,2|2,0,0]=4 4249 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,0,0,0,0,2|2,0,0]=4 4250 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,0,0,0,0,2|2,0,0]=4 4251 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,0,0,0,0,2|1,0,0]=3 4252 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,2|0,0,0]=2 4253 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,0,0,0,0,2|1,0,1]=4 4254 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,0,0,0,0,2|1,0,1]=4 4255 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,0,0,0,2|1,0,0]=3 4256 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,0,0,0,0,2|1,0,0]=3 4257 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,0,0,0,0,2|1,0,1]=4 4258 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,0,0,0,0,2|1,0,1]=4 4259 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,0,0,0,0,2|1,0,0]=3 4260 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,0,0,0,0,2|1,0,0]=3 4261 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,0,0,0,0,2|0,0,1]=3 4262 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,0,0,0,0,2|0,0,1]=3 4263 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,0,0,0,0,2|1,0,1]=4 4264 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,0,0,0,0,2|1,0,1]=4 4265 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,0,0,0,0,2|1,0,1]=4 4266 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,0,0,0,0,2|1,0,1]=4 4267 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,0,0,0,0,2|1,0,1]=4 4268 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,0,0,0,0,2|2,0,0]=4 4269 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,0,0,0,2|1,0,1]=4 4270 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,0,0,0,0,2|2,0,0]=4 4271 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,0,0,0,0,2|1,0,1]=4 4272 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,0,0,0,0,2|1,0,0]=3 4273 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,0,0,0,2|2,0,0]=4 4274 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,0,0,0,2|2,0,0]=4 4275 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,0,0,0,0,2|2,0,0]=4 4276 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,0,0,0,0,2|2,0,0]=4 4277 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,0,0,0,0,2|2,0,0]=4 4278 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,0,0,0,0,2|2,0,0]=4 4279 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,0,0,0,0,2|2,0,0]=4 4280 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,0,0,0,0,2|2,0,0]=4 4281 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,0,0,0,0,2|1,0,0]=3 4282 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,0,0,0,0,2|2,0,0]=4 4283 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,0,0,0,0,2|2,0,0]=4 4284 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,0,0,0,0,2|1,0,1]=4 4285 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,0,0,0,0,2|1,0,1]=4 4286 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,0,0,0,0,2|2,0,0]=4 4287 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,0,0,0,0,2|1,0,0]=3 4288 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,0,0,0,0,2|2,0,0]=4 4289 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,0,0,0,0,2|2,0,0]=4 4290 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,0,0,0,0,2|2,0,0]=4 4291 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,0,0,0,0,2|2,0,0]=4 4292 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,0,0,0,0,2|2,0,0]=4