0 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,0,0|1,1,1]=3 5 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,0,0|1,2,1]=4 6 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,0,0|0,2,1]=3 11 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,0,0|0,2,1]=3 12 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,0,0|0,2,1]=3 19 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,0,0|0,2,1]=3 20 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,0,0|1,2,1]=4 21 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|0,2,1]=4 23 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,1,1]=3 29 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,1,1]=3 30 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,1,1]=3 31 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,1,1]=4 39 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,1,1]=4 40 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,1,1]=4 41 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,1,1]=4 42 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|0,2,1]=4 52 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|1,1,1]=4 53 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,1,1]=4 55 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|0,2,1]=4 60 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|0,1,1]=3 61 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|0,1,1]=3 62 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|0,2,1]=4 63 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,1,1]=4 67 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,1,1]=4 68 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|2,1,0]=4 72 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|2,1,0]=4 73 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|2,1,0]=4 74 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|2,1,0]=4 75 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|2,1,0]=4 76 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|1,1,1]=4 77 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|1,1,1]=4 78 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,1,1]=4 80 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|0,2,1]=4 83 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|0,2,1]=4 84 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|0,2,1]=4 94 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|0,2,1]=4 95 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 109 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|0,2,1]=4 111 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|0,2,1]=4 112 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|0,2,1]=4 113 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|1,1,1]=4 115 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|0,2,1]=4 117 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|0,2,1]=4 118 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|0,2,1]=4 119 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|1,1,0]=3 120 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|2,1,0]=4 121 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|0,1,1]=3 122 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|0,1,1]=3 123 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|0,1,1]=3 124 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|1,1,1]=4 125 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|0,1,1]=3 127 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|0,2,1]=4 128 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|2,1,0]=4 129 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|0,2,1]=4 130 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|0,2,1]=4 131 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,0,0|1,1,1]=4 132 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,0,0|1,1,1]=4 133 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,0,0|0,2,1]=4 134 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,0,0|0,2,1]=4 137 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,1,1]=4 145 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|0,2,1]=4 146 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,1,1]=4 152 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|0,2,1]=4 153 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,1|1,1,1]=4 154 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,1|1,1,1]=4 155 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,1|0,2,1]=4 156 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,1|0,2,1]=4 157 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,1|1,1,1]=4 158 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,1|1,1,1]=4 159 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,1|1,1,1]=4 160 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,1|1,1,1]=4 161 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,1|1,1,1]=4 162 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,0,1|3,0,0]=4 163 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,0,1|3,0,0]=4 164 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,0,1|3,0,0]=4 165 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,0,1|3,0,0]=4 166 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,0,1|3,0,0]=4 167 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,0,1|3,0,0]=4 168 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,0,1|3,0,0]=4 169 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,0,1|2,0,0]=3 170 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,0,1|2,0,0]=3 171 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,1|2,0,0]=3 172 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,0,1|2,0,0]=3 173 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,0,1|2,1,0]=4 174 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,0,1|2,1,0]=4 175 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,0,1|2,1,0]=4 176 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,0,1|2,1,0]=4 177 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,0,1|2,1,0]=4 178 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,0,1|2,1,0]=4 179 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,1|0,2,1]=4 180 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,0,1|2,1,0]=4 181 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,0,1|2,1,0]=4 182 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 186 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 189 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 192 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 193 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 196 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 197 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,1,1]=4 202 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,1,1]=4 203 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|0,1,1]=4 218 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|0,1,1]=4 219 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|0,1,1]=4 220 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,1,1]=4 221 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|0,1,0]=3 233 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,1,0]=3 234 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,1,0]=3 235 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,1,0]=3 236 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,1,1]=4 237 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,1,1]=4 238 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,1,1]=4 239 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|0,1,1]=4 246 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|0,1,1]=4 247 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|0,1,1]=4 248 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|0,1,0]=3 270 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|0,1,0]=3 271 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|0,1,0]=3 272 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|0,1,0]=3 273 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|0,1,0]=3 274 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|0,1,0]=3 279 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|0,1,0]=3 280 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|0,1,0]=3 281 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,1,1]=4 282 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,1,1]=4 283 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,1,1]=4 284 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,1,0]=3 289 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,1,0]=3 296 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,1,1]=4 297 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,1,1]=4 298 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,1,0]=3 301 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,1,0]=3 302 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,1,0]=3 307 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,1,0]=3 308 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,1,0]=3 311 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,1,0]=3 312 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|0,1,1]=4 313 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|0,0,2]=4 324 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|0,0,2]=4 325 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,2]=4 332 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,2]=4 333 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,1,0]=4 338 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,1,0]=4 339 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 340 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,0]=3 341 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,1,1]=4 342 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|0,1,1]=4 343 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,1,1]=4 344 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|0,1,1]=4 345 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 346 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 347 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 348 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,0]=3 349 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,1,0]=3 354 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,1,0]=3 355 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,1,0]=3 356 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,0]=2 357 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,0]=2 358 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,0]=2 359 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,0]=2 360 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|2,0,0]=4 361 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 369 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,1,0]=4 373 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,1,0]=4 374 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,1,0]=4 375 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,1,0]=4 376 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,1,0]=4 378 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,1,0]=4 379 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 380 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,2,0]=4 381 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,0]=3 385 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,0]=3 388 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,0]=3 389 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,0]=3 390 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,1,0]=4 391 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,0]=3 392 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,0]=3 393 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,1,0,0,0,1|2,0,0]=4 406 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,1,0,0,0,1|2,0,0]=4 407 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,1,0,0,0,1|2,0,0]=4 408 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,1,0,0,0,1|2,0,0]=4 409 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,1,0,0,0,1|2,0,0]=4 410 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,1,0,0,0,1|2,0,0]=4 411 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,1,0,0,0,1|2,0,0]=4 412 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,1|2,0,0]=4 413 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,1|2,0,0]=4 414 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,1|0,1,1]=4 415 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,1|0,1,1]=4 416 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,1|2,0,0]=4 417 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,1|1,1,0]=4 418 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,1|1,1,0]=4 419 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,1|1,0,0]=3 420 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,1|1,0,0]=3 421 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,1,0,0,0,1|2,0,0]=4 422 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,1,0,0,0,1|2,0,0]=4 423 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,1|1,1,0]=4 424 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,1|1,1,0]=4 425 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,1|1,1,0]=4 426 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,1,0,0,0,1|2,0,0]=4 427 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,0,0,0,1|2,0,0]=4 428 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,0,0,0,1|2,0,0]=4 429 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,0,0,0,1|2,0,0]=4 430 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,1|1,1,0]=4 431 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,1,0,0,0,1|2,0,0]=4 432 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,1,0,0,0,1|2,0,0]=4 433 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,1|1,1,0]=4 434 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,1|1,1,0]=4 435 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,1|1,1,0]=4 436 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,1|2,0,0]=4 437 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,1|2,0,0]=4 438 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,1|2,0,0]=4 439 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,1|2,0,0]=4 440 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,1|2,0,0]=4 441 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,1|2,0,0]=4 442 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,1|2,0,0]=4 443 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,1|2,0,0]=4 444 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,1|2,0,0]=4 445 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,1|2,0,0]=4 446 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,1|2,0,0]=4 447 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,1|2,0,0]=4 448 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,1|2,0,0]=4 449 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,1|1,1,0]=4 450 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,1|1,1,0]=4 451 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,1|1,1,0]=4 452 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,1|1,1,0]=4 453 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,1|1,1,0]=4 454 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,1|1,0,0]=3 455 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,1|1,0,0]=3 456 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,1|2,0,0]=4 457 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,1|2,0,0]=4 458 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,1|0,1,1]=4 459 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,1|0,1,1]=4 460 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,1,0,0,0,1|2,0,0]=4 461 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,1,0,0,0,1|2,0,0]=4 462 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,1,0,0,0,1|2,0,0]=4 463 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,1,0,0,0,1|2,0,0]=4 464 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,1,0,0,0,1|2,0,0]=4 465 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,1,0,0,0,1|2,0,0]=4 466 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,1,0,0,0,1|2,0,0]=4 467 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,1|2,0,0]=4 468 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,1|2,0,0]=4 469 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,1|1,1,0]=4 470 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,1|1,1,0]=4 471 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,1,0,0,0,1|2,0,0]=4 472 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,1,0,0,0,1|2,0,0]=4 473 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,1,0,0,0,1|2,0,0]=4 474 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,1,0,0,0,1|2,0,0]=4 475 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,1,0,0,0,1|2,0,0]=4 476 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,1,0,0,0,1|2,0,0]=4 477 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,1,0,0,0,1|2,0,0]=4 478 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|0,1,1]=4 479 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|0,1,1]=4 480 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,1,0]=4 481 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|1,1,0]=4 482 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,1,0]=4 483 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,1,0]=4 486 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|0,1,1]=4 487 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|0,1,1]=4 488 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|0,1,1]=4 489 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|0,1,1]=4 490 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|1,1,0]=4 491 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,1,0]=4 492 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|0,1,1]=4 494 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|0,1,1]=4 495 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,1,0]=4 498 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,1,0]=4 499 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,1,0]=4 500 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,1,0]=4 501 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|0,1,1]=4 502 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|0,1,1]=4 503 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|0,1,1]=4 504 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|0,1,1]=4 505 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|0,1,1]=4 506 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,1,0]=4 509 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,1,0]=4 510 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|0,1,1]=4 511 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 512 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 513 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 514 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|0,1,1]=4 515 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|0,1,1]=4 516 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|0,1,1]=4 517 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|0,1,1]=4 518 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|0,1,1]=4 519 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|0,1,1]=4 520 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|0,1,1]=4 521 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|0,1,1]=4 522 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|0,1,1]=4 523 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|0,1,1]=4 524 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|0,1,1]=4 525 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|1,1,0]=4 527 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|1,1,0]=4 531 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|0,1,1]=4 532 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|0,1,1]=4 533 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|1,1,0]=4 536 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|1,1,0]=4 537 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|1,1,0]=4 540 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,1,0]=4 551 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|1,1,0]=4 552 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,1,0]=4 553 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|1,1,0]=4 555 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|1,1,0]=4 556 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|1,1,0]=4 557 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|1,1,0]=4 558 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|1,1,0]=4 559 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|1,1,0]=4 560 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|1,1,0]=4 561 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|1,1,0]=4 562 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|1,1,0]=4 563 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,1,0]=4 564 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|0,2,0]=4 565 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|0,2,0]=4 566 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,1,0]=4 569 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|0,2,0]=4 570 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|0,2,0]=4 571 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|2,0,0]=4 572 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|2,0,0]=4 573 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|2,0,0]=4 574 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|2,0,0]=4 575 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|2,0,0]=4 576 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|2,0,0]=4 577 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|2,0,0]=4 578 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,1|0,1,1]=4 580 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,0,0,1,0,1|2,0,0]=4 581 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,0,0,1,0,1|2,0,0]=4 582 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,0,0,1,0,1|2,0,0]=4 583 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,0,0,1,0,1|2,0,0]=4 584 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [0,0,0,1,0,1|2,0,0]=4 585 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,1,1]=4 592 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,1,1]=4 593 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,1,1]=4 594 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,1,1]=4 595 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|1,1,0]=4 596 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|1,1,0]=4 597 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|1,1,0]=4 598 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|1,1,0]=4 599 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,1,0]=4 602 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,1,0]=4 603 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|1,1,0]=4 607 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,1,0]=4 608 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,1,0]=4 609 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,2|2,0,0]=4 610 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,2|2,0,0]=4 611 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,2|2,0,0]=4 612 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,2|2,0,0]=4 613 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,2|2,0,0]=4 614 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,2|2,0,0]=4 615 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,2|2,0,0]=4 616 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,2|2,0,0]=4 617 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,2|2,0,0]=4 618 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,2|1,1,0]=4 619 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,2|1,1,0]=4 620 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,2|2,0,0]=4 621 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,2|2,0,0]=4 622 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,2|1,1,0]=4 623 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,2|1,1,0]=4 624 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,2|1,1,0]=4 625 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,2|2,0,0]=4 626 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,2|1,1,0]=4 627 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,2|1,1,0]=4 628 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,2|1,1,0]=4 629 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,2|1,1,0]=4 630 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,2|1,1,0]=4 631 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,2|1,1,0]=4 632 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,2|1,1,0]=4