0 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,0,0|0,1,3]=4 1 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,0,0|0,1,3]=4 2 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,0,0|0,1,1]=2 3 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,0,0|0,1,1]=2 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|2,1,1]=4 6 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,0,0|1,1,1]=3 10 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,0,0|1,1,1]=3 12 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,0,0|0,1,1]=2 13 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,0,0|2,0,0]=2 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|1,1,1]=3 19 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,0,0|1,1,1]=3 20 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,0,0|2,1,1]=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|1,1,1]=4 23 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,0]=2 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|1,0,0]=2 32 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,0]=3 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|1,0,0]=2 43 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,1,1]=4 52 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|0,1,2]=4 53 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|0,1,2]=4 54 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|0,1,2]=4 55 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|0,1,2]=4 56 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|0,1,2]=4 58 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|0,1,2]=4 59 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|0,1,2]=4 60 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|0,1,2]=4 62 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|0,1,2]=4 63 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|0,1,1]=3 64 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|0,1,1]=3 65 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|0,1,1]=3 66 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,1,1]=4 67 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|0,1,2]=4 68 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|0,1,1]=3 71 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,1,1]=3 72 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|0,1,0]=2 74 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|1,1,0]=3 76 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|1,1,0]=3 77 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|1,1,0]=3 78 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|1,1,0]=3 79 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|1,1,0]=3 80 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|1,1,1]=4 83 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|0,1,1]=3 84 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|0,1,1]=3 85 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|0,1,1]=3 93 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|0,1,1]=3 94 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|0,1,1]=3 95 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,1,1]=4 102 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|1,1,1]=4 115 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|0,1,1]=3 117 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|0,1,1]=3 118 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|0,1,1]=3 119 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|0,1,1]=3 120 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|1,1,1]=4 125 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|1,1,1]=4 127 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|1,1,1]=4 128 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|0,1,1]=3 129 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|0,1,1]=3 130 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|1,1,1]=4 131 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|1,1,1]=4 132 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|1,1,1]=4 133 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|1,1,1]=4 137 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|0,1,1]=3 138 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|0,1,1]=3 139 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|1,1,1]=4 140 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|0,1,1]=3 141 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|0,1,0]=2 142 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|1,1,0]=3 143 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|1,1,1]=4 145 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|1,1,1]=4 146 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|0,1,1]=3 147 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|0,1,1]=3 148 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|0,1,1]=3 149 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|1,1,1]=4 150 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|1,1,1]=4 151 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|0,1,1]=3 152 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|1,1,1]=4 153 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|1,1,1]=4 154 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|1,1,1]=4 155 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|1,1,1]=4 156 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|1,1,1]=4 157 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|1,1,0]=3 158 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|1,1,1]=4 159 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|1,1,1]=4 160 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|1,1,1]=4 161 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,1,1]=4 162 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,0,0|0,1,1]=3 163 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,0,0|0,1,1]=3 164 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,0,0|0,1,1]=3 165 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,0,0|0,1,1]=3 166 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,0,0|0,1,1]=3 167 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,0,0|0,1,1]=3 168 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.7 CN(C)C(F)(F)F 269982a_100102631434_200000243211 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,1,0,0,0,0|2,1,0]=4 172 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,1,0,0,0,0|2,0,0]=3 173 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|0,1,1]=3 178 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|1,1,1]=4 179 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|0,1,1]=3 185 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|1,1,1]=4 186 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,0,1|2,0,1]=4 187 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,0,1|2,0,1]=4 188 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,0,1|2,0,1]=4 189 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,0,1|2,0,1]=4 190 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,0,1|2,0,1]=4 191 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,0,1|2,0,1]=4 192 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,1|0,1,2]=4 193 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,1|0,1,2]=4 194 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,1|0,1,1]=3 195 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,1|0,1,1]=3 196 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,1|1,1,1]=4 197 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,1|1,1,1]=4 198 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,1|1,1,1]=4 199 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,1|1,1,1]=4 200 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,1|0,1,1]=3 201 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,1|0,1,1]=3 202 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,1|0,1,1]=3 203 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,1|0,1,1]=3 204 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,1|0,1,1]=3 205 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,0,1|2,0,0]=3 206 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,0,1|2,0,0]=3 207 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,0,1|2,0,0]=3 208 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,0,1|2,0,0]=3 209 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,0,1|2,0,0]=3 210 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,0,1|2,0,0]=3 211 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,0,1|2,0,0]=3 212 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,0,1|1,0,0]=2 213 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,0,1|1,0,0]=2 214 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,1|1,0,0]=2 215 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,0,1|1,0,0]=2 216 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,0,1|1,1,0]=3 217 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,0,1|1,1,0]=3 218 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,0,1|1,1,0]=3 219 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,0,1|1,1,0]=3 220 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,0,1|1,1,0]=3 221 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,0,1|1,1,0]=3 222 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,1|1,1,1]=4 223 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,0,0,0,0,1|3,0,0]=4 224 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,0,0,0,0,1|3,0,0]=4 225 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,1|1,1,1]=4 226 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,0,1|1,1,0]=3 227 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,0,1|1,1,0]=3 228 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,1|1,1,1]=4 229 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 230 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 231 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 232 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 233 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 234 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 235 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 236 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 237 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 238 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 240 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 241 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 243 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 244 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 246 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,1,1]=4 249 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,1,1]=4 250 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 252 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 253 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 254 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|0,0,2]=4 261 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|0,0,2]=4 262 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|0,0,2]=4 263 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|0,0,2]=4 264 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|0,0,2]=4 265 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|0,0,2]=4 267 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|0,0,2]=4 268 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|0,0,2]=4 269 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|0,1,1]=4 276 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|0,1,1]=4 277 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|0,1,1]=4 278 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,1,1]=4 279 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|0,0,0]=2 281 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|0,0,0]=2 282 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,0]=2 283 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,0,0]=2 284 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,0,0]=2 285 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|0,1,0]=3 291 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,1,0]=3 292 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,1,0]=3 293 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,1,0]=3 294 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,1,1]=4 295 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,1,1]=4 296 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,1,1]=4 297 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|0,1,1]=4 304 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|0,1,1]=4 305 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|0,1,1]=4 306 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|0,0,0]=2 307 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|0,0,0]=2 308 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|0,0,0]=2 309 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,0,0]=2 310 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,0,0]=2 311 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,0,0]=2 312 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,0,0]=2 313 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|0,0,0]=2 330 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|0,0,0]=2 331 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|0,0,0]=2 332 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|0,0,0]=2 333 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|0,1,0]=3 334 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|0,1,0]=3 335 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|0,1,0]=3 336 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|0,1,0]=3 337 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|0,1,0]=3 338 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|0,1,0]=3 343 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|0,1,0]=3 344 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|0,1,0]=3 345 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,1,1]=4 346 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,1,1]=4 347 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,1,1]=4 348 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,0]=3 349 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,0]=2 350 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,0]=2 351 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,1,0]=3 353 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 354 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,0]=3 358 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 359 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,1,0]=3 360 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,1,1]=4 361 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,1,1]=4 362 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,0,0]=2 363 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,0,0]=2 364 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,1,0]=3 365 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,1,0]=3 366 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,1,0]=3 371 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,1,0]=3 372 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 374 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,1,0]=3 375 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,1,0]=3 376 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|0,1,1]=4 377 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 379 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 380 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 382 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|0,0,2]=4 384 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 385 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|0,0,2]=4 387 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|0,0,2]=4 388 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|0,0,2]=4 389 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 390 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 391 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 392 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 393 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 395 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,2]=4 396 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,2]=4 397 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,0]=3 405 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,1,1]=4 406 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|0,1,1]=4 407 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,1,1]=4 408 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|0,1,1]=4 409 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 410 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 411 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|0,1,1]=4 412 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,0]=2 413 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,0]=2 414 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,0]=2 415 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,0]=2 416 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,0]=2 417 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,0]=2 418 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,0]=2 419 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,0]=2 420 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,0]=2 421 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,0]=2 422 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,0]=2 423 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,0]=2 424 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,1,0]=3 437 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,1,0]=3 438 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,1,0]=3 439 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,1,0]=3 440 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,1,0]=3 445 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,0]=3 452 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,0]=3 453 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,0]=3 454 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,1,0]=3 455 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,0]=3 456 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,0]=3 457 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,0]=3 468 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,1,0,0,0,1|1,0,0]=3 470 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,1,0,0,0,1|1,0,0]=3 471 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,1,0,0,0,1|1,0,0]=3 472 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,1,0,0,0,1|1,0,0]=3 473 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,1,0,0,0,1|1,0,0]=3 474 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,1,0,0,0,1|1,0,0]=3 475 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,1,0,0,0,1|1,0,0]=3 476 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,1|1,0,0]=3 477 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,1|1,0,0]=3 478 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,1|0,1,1]=4 479 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,1|0,1,1]=4 480 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,1|0,1,1]=4 481 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,1|0,1,1]=4 482 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,1|0,1,1]=4 483 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,1|0,1,1]=4 484 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,1|0,1,1]=4 485 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,1|0,1,1]=4 486 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,1|0,1,1]=4 487 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,1|0,1,1]=4 488 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,1|0,1,1]=4 489 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,1|0,1,1]=4 490 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,1|1,0,0]=3 491 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,1|0,1,0]=3 492 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,1|0,1,0]=3 493 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,1|0,0,0]=2 494 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,1|0,0,0]=2 495 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,1,0,0,0,1|2,0,0]=4 496 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,1|0,1,1]=4 497 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,1|0,1,1]=4 498 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,1,0,0,0,1|1,0,0]=3 499 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,1,0,0,0,1|1,0,0]=3 500 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,1|0,1,0]=3 501 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,1|0,1,0]=3 502 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,1|0,1,0]=3 503 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,1,0,0,0,1|1,0,0]=3 504 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,0,0,0,1|1,0,0]=3 505 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,0,0,0,1|1,0,0]=3 506 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,0,0,0,1|1,0,0]=3 507 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,1|0,1,0]=3 508 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,1,0,0,0,1|1,0,0]=3 509 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,1,0,0,0,1|1,0,0]=3 510 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,1|0,1,0]=3 511 B7R0.2 CC(C)SC(F)C#N 62a_100000210206_200000117898 [0,1,0,0,0,1|1,0,1]=4 512 B7R0.2 CC(C)SC(F)C#N 62a_200000117898_100000210206 [0,1,0,0,0,1|1,0,1]=4 513 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,1|0,1,0]=3 514 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,1|0,1,0]=3 515 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,1|1,0,0]=3 516 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,1|1,0,0]=3 517 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,1,0,0,0,1|1,1,0]=4 518 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,1|0,1,1]=4 519 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,1|0,1,1]=4 520 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,1|0,1,1]=4 521 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,1|0,1,1]=4 522 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,1|0,1,1]=4 523 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,1|0,1,1]=4 524 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,1|0,1,1]=4 525 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,1|0,1,1]=4 526 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,1|0,1,1]=4 527 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,1|2,0,0]=4 528 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,1|2,0,0]=4 529 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,1|2,0,0]=4 530 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,1|2,0,0]=4 531 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,1|2,0,0]=4 532 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,1|2,0,0]=4 533 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,1|2,0,0]=4 534 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,1|0,1,1]=4 535 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,1|0,1,1]=4 536 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,1|0,1,1]=4 537 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,1|0,1,1]=4 538 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,1|1,0,0]=3 539 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,1|1,0,0]=3 540 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,1|1,0,0]=3 541 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,1|1,0,0]=3 542 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,1|1,0,0]=3 543 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,1|1,0,0]=3 544 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,1|1,0,0]=3 545 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,0,0,0,1|1,1,0]=4 546 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,0,0,0,1|1,1,0]=4 547 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,1|2,0,0]=4 548 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,1|2,0,0]=4 549 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,1|2,0,0]=4 550 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,1|2,0,0]=4 551 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,1|2,0,0]=4 552 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,1|2,0,0]=4 553 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,1|1,1,0]=4 554 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,1|1,1,0]=4 555 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,1|1,1,0]=4 556 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,1|1,1,0]=4 557 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,1|1,1,0]=4 558 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,1|1,1,0]=4 559 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,1|1,1,0]=4 560 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,1|1,1,0]=4 561 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,1|1,1,0]=4 564 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,1|1,1,0]=4 565 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,1|0,1,1]=4 566 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,1|2,0,0]=4 567 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,1|2,0,0]=4 568 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,1,0,0,0,1|1,1,0]=4 569 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,1,0,0,0,1|1,1,0]=4 570 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,1,0,0,0,1|1,1,0]=4 571 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,1,0,0,0,1|1,1,0]=4 572 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,1,0,0,0,1|1,1,0]=4 573 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,1,0,0,0,1|1,1,0]=4 574 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,1,0,0,0,1|1,1,0]=4 575 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,1|0,1,1]=4 576 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,1|0,1,1]=4 577 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,1|0,1,1]=4 578 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,1|0,1,1]=4 579 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,1|0,1,1]=4 580 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,1|0,1,1]=4 581 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,1|0,1,1]=4 582 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,1|0,1,1]=4 583 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,1|0,1,1]=4 584 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,1|1,0,0]=3 585 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,1|1,0,0]=3 586 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,1|1,0,0]=3 587 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,1|1,0,0]=3 588 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,1|0,1,1]=4 589 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,1|0,1,0]=3 590 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,1|0,1,0]=3 591 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,1|0,1,0]=3 592 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,1|0,1,0]=3 593 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,1|0,1,0]=3 594 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,1|0,0,0]=2 595 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,1|0,0,0]=2 596 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,1|1,0,0]=3 597 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,1|1,0,0]=3 598 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,1|0,1,1]=4 599 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,1|0,1,1]=4 600 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,1,0,0,0,1|1,1,0]=4 601 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,1,0,0,0,1|1,1,0]=4 602 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,1|0,1,1]=4 603 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,1|0,1,1]=4 604 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,1|0,1,1]=4 605 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,1|0,1,1]=4 606 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,1|0,1,1]=4 607 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,1|0,1,1]=4 608 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,1|0,1,1]=4 609 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,1|0,1,1]=4 610 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,1,0,0,0,1|1,0,0]=3 611 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,1,0,0,0,1|1,0,0]=3 612 B7R0.9 CC(C)NC(F)(F)F 34a_100138425928_200103152311 [0,1,0,0,0,1|2,0,0]=4 613 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,1,0,0,0,1|1,0,0]=3 614 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,1,0,0,0,1|1,0,0]=3 615 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,1,0,0,0,1|1,0,0]=3 616 B7R0.9 CC(C)OC(F)(F)F 34a_100000212225_200103152311 [0,1,0,0,0,1|2,0,0]=4 617 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,1,0,0,0,1|1,0,0]=3 618 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,1,0,0,0,1|1,0,0]=3 619 B7R0.9 CC(C)SC(F)(F)F 62a_100000210206_200103152311 [0,1,0,0,0,1|2,0,0]=4 620 B7R0.9 CC(C)SC(F)(F)F 62a_200000243211_100000210206 [0,1,0,0,0,1|2,0,0]=4 621 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,1,0,0,0,1|2,0,0]=4 622 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,1,0,0,0,1|2,0,0]=4 623 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,1,0,0,0,1|2,0,0]=4 624 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,1,0,0,0,1|1,1,0]=4 625 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,1,0,0,0,1|1,1,0]=4 626 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,1,0,0,0,1|2,0,0]=4 627 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,1,0,0,0,1|2,0,0]=4 628 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,1,0,0,0,1|1,1,0]=4 629 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,1,0,0,0,1|1,1,0]=4 630 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,1|1,0,1]=4 631 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,1|0,1,1]=4 632 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,1|0,1,1]=4 633 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,1|0,1,1]=4 634 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,1|0,1,1]=4 635 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,1|0,1,1]=4 636 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,1|0,1,1]=4 637 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,1|1,0,0]=3 638 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,1|1,0,0]=3 639 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,1|1,1,0]=4 640 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,0,1|2,0,0]=4 641 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,0,1|2,0,0]=4 642 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,0,1|2,0,0]=4 643 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,0,1|2,0,0]=4 644 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,1|0,1,0]=3 645 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,1|0,1,0]=3 646 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,1|0,1,1]=4 647 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,1|2,0,0]=4 648 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,1|2,0,0]=4 649 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,1|2,0,0]=4 650 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,1|2,0,0]=4 651 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,1,0,0,0,1|1,0,0]=3 652 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,1,0,0,0,1|1,0,0]=3 653 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,1,0,0,0,1|1,0,0]=3 654 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,1,0,0,0,1|1,0,0]=3 655 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,1,0,0,0,1|1,0,0]=3 656 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,1,0,0,0,1|1,0,0]=3 657 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,1,0,0,0,1|1,0,0]=3 658 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,1|0,1,1]=4 659 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,0,0,0,1|2,0,0]=4 660 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,0,0,0,1|2,0,0]=4 661 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,0,0,0,1|2,0,0]=4 662 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,0,0,0,1|2,0,0]=4 663 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,1|1,1,0]=4 664 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,1|1,1,0]=4 665 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,1|1,1,0]=4 666 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|0,1,1]=4 667 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|0,1,1]=4 668 B7R0.5 C#CCN(C)C(C)C 2230a_100000225692_100000210206 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.5 C#CCN(C)C(C)C 34a_100000225692_100000210206 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|0,1,1]=4 672 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|0,1,1]=4 673 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|0,1,1]=4 674 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|0,1,1]=4 675 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 678 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,2,0,0,0,0|0,1,1]=4 683 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|0,1,1]=4 684 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,1,1]=4 685 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|0,1,1]=4 686 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|0,1,1]=4 687 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|0,1,1]=4 688 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|0,1,1]=4 689 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|0,1,1]=4 690 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|0,1,1]=4 691 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|0,1,1]=4 692 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|0,1,1]=4 693 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,1,1]=4 694 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,1,1]=4 695 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|0,1,1]=4 696 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|0,1,1]=4 697 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|0,1,0]=3 698 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|0,1,0]=3 699 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|0,1,0]=3 700 B7R0.5 CC(C)N(C)CC#N 2230a_100000748184_100000210206 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.5 CC(C)N(C)CC#N 269982a_200000211004_100011214920 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|1,1,0]=4 703 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,2,0,0,0,0|1,1,0]=4 705 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,2,0,0,0,0|1,1,0]=4 706 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,2,0,0,0,0|1,1,0]=4 707 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,2,0,0,0,0|1,1,0]=4 708 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,2,0,0,0,0|1,1,0]=4 709 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,2,0,0,0,0|1,1,0]=4 710 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,2,0,0,0,0|1,1,0]=4 711 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.5 CC(CC#N)N(C)C 2230a_100102631434_100009813641 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.5 CC(CC#N)N(C)C 269982a_100102631434_100009813641 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|1,1,0]=4 715 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|1,1,0]=4 716 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|1,1,0]=4 717 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|1,1,0]=4 718 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|1,1,0]=4 719 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|1,1,0]=4 720 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|0,1,1]=4 721 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|0,1,1]=4 722 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|0,1,1]=4 723 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|0,1,1]=4 724 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|0,1,1]=4 725 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|0,1,1]=4 726 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,2,0,0,0,0|2,0,0]=4 735 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|0,1,1]=4 737 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|0,1,1]=4 738 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|0,1,1]=4 739 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|0,1,1]=4 740 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|0,1,1]=4 742 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|0,1,1]=4 743 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|0,1,1]=4 744 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|0,1,0]=3 745 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|0,1,1]=4 746 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|0,1,1]=4 747 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|0,1,1]=4 748 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|0,1,1]=4 749 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|0,1,1]=4 750 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|0,1,1]=4 751 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|0,1,1]=4 752 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|0,1,0]=3 753 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|0,1,0]=3 754 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,2,0,0,0,0|0,1,1]=4 755 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|0,1,1]=4 756 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|0,1,1]=4 757 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|0,1,1]=4 758 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|0,1,1]=4 759 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|0,1,1]=4 760 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|0,1,1]=4 761 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|0,1,1]=4 762 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|1,1,0]=4 763 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|1,1,0]=4 764 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|1,1,0]=4 765 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|1,1,0]=4 766 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|0,1,1]=4 768 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|0,1,1]=4 769 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|0,1,1]=4 770 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|0,1,1]=4 771 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|0,1,1]=4 772 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,2,0,0,0,0|1,1,0]=4 781 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|0,1,1]=4 782 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|0,1,1]=4 783 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|0,1,1]=4 784 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|0,1,1]=4 785 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|0,1,1]=4 786 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|0,1,1]=4 787 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|0,1,1]=4 788 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|0,1,1]=4 789 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|0,1,1]=4 790 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|0,1,1]=4 791 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|0,1,1]=4 792 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,1,1]=4 793 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|0,1,1]=4 794 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|0,1,1]=4 795 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|0,1,1]=4 796 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|0,1,1]=4 797 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|0,1,0]=3 800 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|0,1,0]=3 801 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 803 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,2,0,0,0,0|2,0,0]=4 807 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,2,0,0,0,0|1,1,0]=4 813 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,2,0,0,0,0|1,1,0]=4 814 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,2,0,0,0,0|1,1,0]=4 815 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,2,0,0,0,0|1,1,0]=4 816 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,2,0,0,0,0|1,1,0]=4 817 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,2,0,0,0,0|1,1,0]=4 818 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,2,0,0,0,0|1,1,0]=4 819 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,2,0,0,0,0|1,1,0]=4 820 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,2,0,0,0,0|1,1,0]=4 821 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|0,1,1]=4 822 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|0,1,1]=4 823 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|0,1,1]=4 824 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|0,1,1]=4 825 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|0,1,1]=4 826 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|0,1,1]=4 827 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|0,1,1]=4 828 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|0,1,1]=4 829 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|0,1,1]=4 830 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 831 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 832 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|0,1,1]=4 833 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|0,1,1]=4 834 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|0,1,1]=4 835 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|0,1,1]=4 836 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|0,1,1]=4 837 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|0,1,1]=4 838 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|0,1,1]=4 839 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|0,1,1]=4 840 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|0,1,1]=4 841 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|0,1,1]=4 842 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|0,1,1]=4 843 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|0,1,1]=4 844 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|0,1,1]=4 845 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|0,1,1]=4 846 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|0,1,1]=4 847 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|0,1,1]=4 848 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|0,1,1]=4 849 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|0,1,1]=4 850 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|0,1,1]=4 851 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|0,1,1]=4 852 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|0,1,1]=4 853 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,2,0,0,0,0|0,1,1]=4 854 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,2,0,0,0,0|0,1,1]=4 855 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,2,0,0,0,0|0,1,1]=4 856 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|0,1,1]=4 857 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|0,1,1]=4 858 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,2,0,0,0,0|0,1,1]=4 859 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|0,1,1]=4 860 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|0,1,1]=4 861 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|0,1,1]=4 862 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|0,1,1]=4 863 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|0,1,1]=4 864 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|0,1,1]=4 865 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,2,0,0,0,0|0,1,1]=4 866 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|0,1,1]=4 867 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|0,1,1]=4 868 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|1,0,0]=3 869 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|0,1,0]=3 870 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|0,1,1]=4 871 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|0,1,1]=4 872 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,2,0,0,0,0|2,0,0]=4 874 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 875 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 876 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|0,1,1]=4 878 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|0,1,1]=4 879 B7R0.13 CN(C)C(C)(C)C#N 269982a_100102631434_100011162410 [0,2,0,0,0,0|2,0,0]=4 880 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,2,0,0,0,0|1,1,0]=4 881 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,2,0,0,0,0|1,0,0]=3 882 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,2,0,0,0,0|1,0,0]=3 883 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,2,0,0,0,0|1,1,0]=4 884 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|0,1,1]=4 885 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|1,0,0]=3 886 B7R0.13 CNS(=O)(=O)C(C)C 270084a_100102657272_100000742656 [0,2,0,0,0,0|1,1,0]=4 887 B7R0.13 CNS(=O)(=O)C(C)C 274078a_100102657272_100000742656 [0,2,0,0,0,0|1,1,0]=4 888 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|0,1,1]=4 889 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|0,1,1]=4 890 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|0,1,1]=4 891 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|0,1,1]=4 892 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|0,1,0]=3 893 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|0,1,1]=4 894 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|0,1,1]=4 895 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,2,0,0,0,0|1,0,0]=3 896 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,2,0,0,0,0|1,0,0]=3 897 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|0,1,1]=4 898 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|0,1,1]=4 899 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|0,1,1]=4 900 B7R0.14 CC(O[13CH3])C(F)(F)F 34a_100000765112_200025704644 [0,2,0,0,0,0|2,0,0]=4 901 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|0,1,1]=4 902 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|0,1,1]=4 903 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|0,1,1]=4 904 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [0,2,0,0,0,0|2,0,0]=4 905 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [0,2,0,0,0,0|2,0,0]=4 906 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [0,2,0,0,0,0|2,0,0]=4 907 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [0,2,0,0,0,0|2,0,0]=4 908 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.14 CN(CF)C(C)(C)C 269982a_100011215553_100015361967 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,2,0,0,0,0|0,1,1]=4 912 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 913 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 914 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 915 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,2,0,0,0,0|0,1,1]=4 916 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,2,0,0,0,0|0,1,1]=4 917 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,2,0,0,0,0|0,1,1]=4 918 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,2,0,0,0,0|0,1,1]=4 919 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,2,0,0,0,0|0,1,1]=4 920 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|0,1,0]=3 921 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|0,1,0]=3 922 B7R0.14 CN[C@@H](C)C(F)(F)F 2230a_100000732647_200000210301 [0,2,0,0,0,0|2,0,0]=4 923 B7R0.14 CN[C@@H](C)C(F)(F)F 34a_100000732647_200000210301 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.14 COC(C)C(F)(F)F 34a_100000765112_200000210301 [0,2,0,0,0,0|2,0,0]=4 926 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|1,0,0]=3 927 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|0,1,0]=3 928 B7R0.14 C[C@H](N[13CH3])C(F)(F)F 2230a_100000732647_200025704644 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.14 C[C@H](N[13CH3])C(F)(F)F 34a_100000732647_200025704644 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|1,0,0]=3 931 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|1,0,0]=3 932 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|1,0,0]=3 933 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|1,0,0]=3 934 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 935 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 936 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 937 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 938 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,0]=3 939 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,0]=3 940 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|0,1,0]=3 941 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|0,1,0]=3 942 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,1,0]=3 943 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|0,1,1]=4 944 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|0,1,1]=4 945 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|0,1,1]=4 946 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,2,0,0,0,0|2,0,0]=4 947 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,2,0,0,0,0|2,0,0]=4 948 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,2,0,0,0,0|2,0,0]=4 949 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,2,0,0,0,0|2,0,0]=4 951 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,2,0,0,0,0|1,0,0]=3 953 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|0,1,1]=4 954 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|0,1,1]=4 955 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|0,1,0]=3 956 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|0,1,0]=3 957 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|0,1,0]=3 958 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|0,1,0]=3 959 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [0,2,0,0,0,0|2,0,0]=4 960 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [0,2,0,0,0,0|2,0,0]=4 961 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [0,2,0,0,0,0|2,0,0]=4 962 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [0,2,0,0,0,0|2,0,0]=4 963 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [0,2,0,0,0,0|2,0,0]=4 964 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [0,2,0,0,0,0|2,0,0]=4 965 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|0,1,0]=3 966 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|0,1,0]=3 967 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|0,1,0]=3 968 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|0,1,0]=3 969 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|0,1,0]=3 970 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,1,0]=3 971 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|0,1,0]=3 972 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|0,1,0]=3 973 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,0]=3 975 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|0,1,0]=3 976 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|0,1,1]=4 977 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|0,1,1]=4 978 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|0,1,0]=3 979 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|0,1,0]=3 980 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,0]=3 981 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,0]=3 982 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,0]=3 983 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,0]=3 984 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,0]=3 985 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,0]=3 986 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,0]=3 987 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,0]=3 988 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,1,0,1|1,1,0]=4 989 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,1,0,1|1,1,0]=4 990 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,1,0,1|2,0,0]=4 991 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,1,0,1|2,0,0]=4 992 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,1,0,1|2,0,0]=4 993 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,1|2,0,0]=4 994 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,1|2,0,0]=4 995 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,1|2,0,0]=4 996 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,1|2,0,0]=4 997 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,1|2,0,0]=4 998 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,1|2,0,0]=4 999 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,1,0,1|1,1,0]=4 1000 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,1,0,1|1,1,0]=4 1001 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,1,0,1|2,0,0]=4 1002 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,1,0,1|2,0,0]=4 1003 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,1,0,1|2,0,0]=4 1004 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,1|0,1,1]=4 1005 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,1|0,1,1]=4 1006 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,1,0,1|2,0,0]=4 1007 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,1,0,1|2,0,0]=4 1008 B7R1.16 CC1(CN(C1)[13CH3])F 2230a_100000696199_200025704644 [0,0,0,1,0,1|2,0,0]=4 1009 B7R1.16 CC1(CN(C1)[13CH3])F 269982a_100000696199_200025704644 [0,0,0,1,0,1|2,0,0]=4 1010 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,0,0,1,0,1|1,1,0]=4 1011 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,0,0,1,0,1|1,1,0]=4 1012 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,1,0,1|2,0,0]=4 1013 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,1,0,1|2,0,0]=4 1014 B7R1.16 CN1CC(C1)(C)F 2230a_100000696199_200000210301 [0,0,0,1,0,1|2,0,0]=4 1015 B7R1.16 CN1CC(C1)(C)F 269982a_100000696199_200000210301 [0,0,0,1,0,1|2,0,0]=4 1016 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,0,0,1,0,1|1,1,0]=4 1017 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,0,0,1,0,1|1,1,0]=4 1018 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,1|0,1,1]=4 1019 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,1|0,1,1]=4 1020 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,1|1,0,1]=4 1021 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,1|0,1,1]=4 1022 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,1|0,1,1]=4 1023 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,1|0,1,1]=4 1024 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,0,0,1,0,1|1,0,0]=3 1025 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,0,0,1,0,1|1,0,0]=3 1026 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,0,0,1,0,1|1,0,0]=3 1027 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,0,0,1,0,1|1,0,0]=3 1028 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,0,1,0,1|2,0,0]=4 1029 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,0,1,0,1|2,0,0]=4 1030 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,0,1,0,1|2,0,0]=4 1031 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,0,1,0,1|2,0,0]=4 1032 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,0,0,1,0,1|1,1,0]=4 1033 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,0,0,1,0,1|1,1,0]=4 1034 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [0,0,0,1,0,1|1,0,0]=3 1035 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,0,0,1,0,1|1,1,0]=4 1036 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,0,1,0,1|2,0,0]=4 1037 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,0,1,0,1|2,0,0]=4 1038 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,1|0,1,1]=4 1039 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 1040 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 1041 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 1042 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 1043 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 1044 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 1045 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1046 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1047 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1048 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1049 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1050 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1051 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 1052 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 1053 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 1054 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 1055 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 1056 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 1057 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|2,0,0]=4 1058 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|2,0,0]=4 1059 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|0,1,1]=4 1060 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|0,1,1]=4 1061 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|0,1,1]=4 1062 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,1,1]=4 1063 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,1,1]=4 1064 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,1,1]=4 1065 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,1,1]=4 1066 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|0,1,0]=3 1067 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|0,1,0]=3 1068 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|0,1,0]=3 1069 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|0,1,0]=3 1070 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|0,1,1]=4 1071 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|0,1,1]=4 1072 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|0,1,1]=4 1073 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|0,1,1]=4 1074 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|0,1,1]=4 1075 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,1,0,1,0,0|2,0,0]=4 1076 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1077 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1078 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,1,0,0|2,0,0]=4 1079 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,1,0,0|2,0,0]=4 1080 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1081 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,1,0,1,0,0|1,1,0]=4 1082 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,1,0,1,0,0|1,1,0]=4 1083 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,1,0,1,0,0|1,1,0]=4 1084 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1085 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1086 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1087 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,1,0,1,0,0|1,1,0]=4 1088 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,1,0,1,0,0|1,1,0]=4 1089 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|0,1,1]=4 1090 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|0,1,1]=4 1091 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|0,1,1]=4 1092 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|0,1,1]=4 1093 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|0,1,1]=4 1094 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|0,1,1]=4 1095 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|0,1,1]=4 1096 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|0,1,1]=4 1097 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|0,1,1]=4 1098 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|1,0,0]=3 1099 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|1,0,0]=3 1100 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|0,1,0]=3 1101 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|0,1,0]=3 1102 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|0,1,1]=4 1103 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,1,0,1,0,0|2,0,0]=4 1104 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,1,0,1,0,0|2,0,0]=4 1105 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,1,0,1,0,0|2,0,0]=4 1106 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,1,0,1,0,0|2,0,0]=4 1107 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,1,0,1,0,0|2,0,0]=4 1108 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,1,0,1,0,0|2,0,0]=4 1109 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,1,0,1,0,0|2,0,0]=4 1110 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [0,1,0,1,0,0|2,0,0]=4 1111 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|0,1,1]=4 1112 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|0,1,1]=4 1113 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|0,1,1]=4 1114 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|0,1,1]=4 1115 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|1,0,0]=3 1116 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|1,0,0]=3 1117 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|1,0,0]=3 1118 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|0,1,0]=3 1119 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|0,1,0]=3 1120 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|0,1,0]=3 1121 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|0,1,1]=4 1122 B7R1.23 CNC1CC1(F)F 2230a_100020610826_200000210301 [0,1,0,1,0,0|2,0,0]=4 1123 B7R1.23 CNC1CC1(F)F 34a_100020610826_200000210301 [0,1,0,1,0,0|2,0,0]=4 1124 B7R1.23 [13CH3]NC1CC1(F)F 2230a_100020610826_200025704644 [0,1,0,1,0,0|2,0,0]=4 1125 B7R1.23 [13CH3]NC1CC1(F)F 34a_100020610826_200025704644 [0,1,0,1,0,0|2,0,0]=4 1126 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,2|1,0,1]=4 1127 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,2|1,0,1]=4 1128 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,2|1,0,1]=4 1129 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,2|1,0,1]=4 1130 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,2|1,0,1]=4 1131 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,2|1,0,1]=4 1132 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,2|0,1,1]=4 1133 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,2|0,1,1]=4 1134 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,2|0,1,1]=4 1135 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,2|0,1,1]=4 1136 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,2|0,1,1]=4 1137 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,2|0,1,1]=4 1138 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,2|0,1,1]=4 1139 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,2|0,1,1]=4 1140 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,2|0,1,1]=4 1141 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,2|0,1,1]=4 1142 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,2|0,1,1]=4 1143 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,2|1,0,0]=3 1144 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,2|0,1,1]=4 1145 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,2|0,1,1]=4 1146 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,0,2|2,0,0]=4 1147 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,0,2|2,0,0]=4 1148 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,0,2|2,0,0]=4 1149 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,0,2|2,0,0]=4 1150 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,0,2|2,0,0]=4 1151 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,0,2|2,0,0]=4 1152 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,2|1,0,0]=3 1153 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,2|1,0,0]=3 1154 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,2|1,0,0]=3 1155 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,2|1,0,0]=3 1156 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,2|1,0,0]=3 1157 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,2|1,0,0]=3 1158 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,2|1,0,0]=3 1159 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,2|1,0,0]=3 1160 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,0,0,0,0,2|2,0,0]=4 1161 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,0,0,0,0,2|2,0,0]=4 1162 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,0,0,0,0,2|2,0,0]=4 1163 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,2|0,1,0]=3 1164 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,2|0,1,0]=3 1165 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,2|0,1,1]=4 1166 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,0,0,0,2|2,0,0]=4 1167 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,0,0,0,2|2,0,0]=4 1168 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,0,2|2,0,0]=4 1169 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,0,2|2,0,0]=4 1170 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,2|1,0,0]=3 1171 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,2|1,0,0]=3 1172 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,2|0,1,0]=3 1173 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,2|0,1,1]=4 1174 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,0,0,0,2|2,0,0]=4 1175 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,0,0,0,2|2,0,0]=4 1176 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,2|0,1,0]=3 1177 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,2|0,1,0]=3 1178 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,2|1,0,0]=3 1179 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,2|1,1,0]=4 1180 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,2|1,1,0]=4 1181 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,2|0,1,0]=3 1182 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,2|0,1,0]=3 1183 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,2|0,1,0]=3 1184 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,2|0,1,0]=3 1185 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,2|0,1,0]=3 1186 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,2|0,1,0]=3 1187 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,2|0,1,0]=3