0 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,0,0]=1 79 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|0,0,1]=2 166 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|1,0,0]=2 180 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|1,0,0]=2 182 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|0,0,0]=1 185 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|0,0,1]=2 187 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|1,0,1]=3 192 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,0,0]=2 211 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,0,0]=2 218 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|2,0,0]=3 219 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,1|1,0,2]=4 220 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,0,1|3,0,0]=4 221 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,0,1|3,0,0]=4 222 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,0,1|3,0,0]=4 223 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,0,1|3,0,0]=4 224 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,0,1|3,0,0]=4 225 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,0,1|3,0,0]=4 226 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,0,1|3,0,0]=4 227 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,0,1|3,0,0]=4 228 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,1|1,0,1]=3 229 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,1|2,0,1]=4 230 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,1|2,0,1]=4 231 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,1|1,0,1]=3 232 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,1|2,0,1]=4 233 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,1|2,0,1]=4 234 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,1|2,0,1]=4 235 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,1|2,0,1]=4 236 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,1|1,0,2]=4 237 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,1|1,0,0]=2 238 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,1|1,0,0]=2 239 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,1|2,0,0]=3 240 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,0,1|3,0,0]=4 241 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,1|2,0,0]=3 242 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,1|2,0,0]=3 243 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,1|2,0,0]=3 244 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,1|1,0,0]=2 245 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,1|1,0,0]=2 246 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,1|1,0,0]=2 247 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,1|1,0,0]=2 248 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,1|1,0,0]=2 249 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,0,1|3,0,0]=4 250 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,0,1|3,0,0]=4 251 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,0,1|3,0,0]=4 252 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,0,1|3,0,0]=4 253 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,0,1|3,0,0]=4 254 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,0,1|3,0,0]=4 255 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,0,1|3,0,0]=4 256 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,0,1|2,0,1]=4 257 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,0,1|2,0,1]=4 258 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,1|2,0,1]=4 259 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,0,1|2,0,1]=4 260 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,0,1|2,0,1]=4 261 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,0,1|2,0,1]=4 262 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,0,1|2,0,1]=4 263 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,0,1|2,0,1]=4 264 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,0,1|2,0,1]=4 265 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,0,1|2,0,1]=4 266 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,0,1|2,0,0]=3 267 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,0,1|2,0,0]=3 268 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,0,1|2,0,0]=3 269 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,0,1|1,0,0]=2 270 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,1|2,0,0]=3 271 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,0,1|1,0,1]=3 272 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,0,1|2,0,1]=4 273 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,0,1|2,0,0]=3 274 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,0,1|1,0,0]=2 275 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,1|2,0,0]=3 276 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,0,1|2,0,1]=4 277 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,0,1|2,0,1]=4 278 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,1|2,0,0]=3 279 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,0,1|2,0,1]=4 280 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|2,0,0]=4 281 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|2,0,0]=4 286 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|2,0,0]=4 291 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 293 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 294 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 296 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,1]=3 342 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,1,1]=4 343 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,1,1]=4 344 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|1,0,0]=3 358 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|1,0,0]=3 359 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 371 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,0]=3 378 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|0,0,0]=2 381 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|0,0,1]=3 382 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|0,0,1]=3 403 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,1]=3 405 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,1]=3 406 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,0,0]=3 416 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|0,0,1]=3 419 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,1,1]=4 421 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,1,1]=4 422 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|0,0,0]=2 435 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,0,0]=3 436 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|0,0,1]=3 438 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|0,0,1]=3 439 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,0,1]=3 470 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,0]=3 471 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 477 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 492 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 493 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,0,1]=3 499 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 500 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,0,1]=3 501 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,1]=3 506 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,0,1]=3 513 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,0,1]=3 514 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,0,1]=3 515 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,0,1]=3 516 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,0,1]=3 517 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,0,1]=3 518 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|2,0,0]=4 523 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,1|1,0,0]=3 532 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,1|2,0,0]=4 533 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,1|1,0,1]=4 534 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,1|1,0,1]=4 535 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,1|1,0,1]=4 536 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,1|1,0,1]=4 537 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,1|0,0,2]=4 538 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,1|1,0,0]=3 539 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,1|2,0,0]=4 540 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,1|1,0,0]=3 541 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,1|1,0,0]=3 542 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,1|1,0,1]=4 543 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,1|1,0,1]=4 544 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,1|1,0,1]=4 545 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,1|2,0,0]=4 546 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,1|1,0,0]=3 547 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,1|1,0,1]=4 548 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,1|1,0,1]=4 549 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,1|1,0,1]=4 550 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,1|1,0,0]=3 551 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,1|1,0,0]=3 552 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,1|1,0,0]=3 553 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,1|1,0,0]=3 554 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,1|1,0,0]=3 555 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,1|1,0,0]=3 556 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,1|1,0,0]=3 557 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,1|1,0,0]=3 558 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,1|1,0,0]=3 559 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,1|0,0,0]=2 560 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,1|1,0,1]=4 561 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,1|1,0,1]=4 562 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,1|0,0,0]=2 563 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,1|0,0,0]=2 564 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,1|1,0,1]=4 565 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,1|1,0,1]=4 566 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,1|1,0,1]=4 567 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,1|1,0,1]=4 568 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,1|1,0,1]=4 569 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,1|1,0,1]=4 570 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,1|1,0,1]=4 571 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,1|1,0,0]=3 572 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,1|1,0,1]=4 573 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,1|1,0,1]=4 574 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,1|1,0,1]=4 575 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,1|1,0,0]=3 576 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,1|1,0,0]=3 577 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,1|2,0,0]=4 578 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,1|2,0,0]=4 579 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,1|2,0,0]=4 580 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,1|2,0,0]=4 581 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,1|2,0,0]=4 582 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,1|1,0,0]=3 583 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,1|1,0,0]=3 584 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,1|1,0,0]=3 585 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,1|1,0,0]=3 586 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,1|1,0,0]=3 587 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,1|1,0,0]=3 588 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,1|1,0,0]=3 589 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,1|1,0,0]=3 590 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,1|1,0,0]=3 591 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,1|1,0,0]=3 592 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,1|1,0,0]=3 593 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,1|2,0,0]=4 594 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,1|2,0,0]=4 595 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,1|2,0,0]=4 596 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,1|2,0,0]=4 597 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,1|2,0,0]=4 598 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,1|2,0,0]=4 599 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,1|2,0,0]=4 600 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,1|1,0,0]=3 601 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,1|1,0,0]=3 602 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,1|2,0,0]=4 603 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,1|1,0,1]=4 604 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,1|1,0,0]=3 605 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,1|1,0,0]=3 606 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,1|2,0,0]=4 607 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,1|1,0,0]=3 608 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,1|1,0,1]=4 609 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,1|1,0,1]=4 610 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,1|1,0,1]=4 611 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,1|1,0,1]=4 612 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,1|1,0,0]=3 613 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,1|1,0,0]=3 614 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,1|1,0,0]=3 615 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,1|1,0,0]=3 616 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,1|2,0,0]=4 617 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,1|2,0,0]=4 618 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,1|2,0,0]=4 619 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,1|2,0,0]=4 620 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,1|2,0,0]=4 621 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,1|2,0,0]=4 622 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,1|2,0,0]=4 623 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,1|2,0,0]=4 624 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,1|2,0,0]=4 625 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,1|2,0,0]=4 626 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,1|2,0,0]=4 627 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,1|2,0,0]=4 628 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,1|1,0,0]=3 629 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,1|1,0,0]=3 630 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,1|1,0,0]=3 631 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,1|1,0,0]=3 632 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,1|1,0,0]=3 633 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,1|1,0,1]=4 634 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,1|1,0,1]=4 635 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,1|1,0,1]=4 636 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,1|1,0,0]=3 637 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,1|1,0,0]=3 638 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,1|1,0,0]=3 639 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,1|1,0,0]=3 640 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,1|2,0,0]=4 641 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,1|1,0,1]=4 642 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,1|1,0,1]=4 643 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,1|1,0,1]=4 644 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,1|1,0,1]=4 645 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,1|1,0,1]=4 646 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,1|1,0,0]=3 647 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,1|1,0,0]=3 648 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,1|2,0,0]=4 649 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,1|2,0,0]=4 650 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,0,0,0,1|2,0,0]=4 651 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,1|1,0,1]=4 652 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,1|1,0,0]=3 653 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,1|1,0,0]=3 654 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,0,1|2,0,0]=4 655 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,0,1|1,1,0]=4 656 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,0,1|1,1,0]=4 657 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,1|1,0,0]=3 658 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,1|1,0,0]=3 659 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,1|1,0,0]=3 660 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,1|1,0,0]=3 661 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,1|1,0,0]=3 662 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,1|1,0,0]=3 663 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,0,1|2,0,0]=4 664 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,0,1|1,1,0]=4 665 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,1|2,0,0]=4 666 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,1|2,0,0]=4 667 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,1|1,0,0]=3 668 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,1|2,0,0]=4 669 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,1|2,0,0]=4 670 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,1|1,0,0]=3 671 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,1|1,0,0]=3 672 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,1|1,0,0]=3 673 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,1|1,0,0]=3 674 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,1|2,0,0]=4 675 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,1|1,0,0]=3 676 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,1|2,0,0]=4 677 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,1|2,0,0]=4 678 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,1|1,0,0]=3 679 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,1|1,0,0]=3 680 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,1|0,0,2]=4 681 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,1|1,0,1]=4 682 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,1|1,0,1]=4 683 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,1|1,0,0]=3 684 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,1|1,0,0]=3 685 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,1|2,0,0]=4 686 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,1|2,0,0]=4 687 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,1|2,0,0]=4 688 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,1|2,0,0]=4 689 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,1|2,0,0]=4 690 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,0,2]=4 701 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 708 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,0,0]=2 736 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|0,1,0]=3 738 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|0,1,0]=3 739 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|0,0,0]=2 752 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|1,0,1]=4 753 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|2,0,0]=4 781 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|1,0,0]=3 794 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|2,0,0]=4 795 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|0,0,0]=2 796 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|1,0,0]=3 801 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|0,0,1]=3 806 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,0]=3 809 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|1,0,0]=3 813 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 820 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 823 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|2,0,0]=4 824 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 825 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|1,1,0]=4 829 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|1,1,0]=4 830 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|1,0,0]=3 831 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|1,0,0]=3 832 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 836 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|0,0,0]=2 838 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|1,0,0]=3 839 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 840 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,2,0,0,0,0|2,0,0]=4 843 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|0,0,0]=2 850 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,0,0]=3 854 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 855 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,0]=3 856 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,0]=3 857 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 858 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 859 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,0]=3 860 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|1,0,1]=4 862 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|2,0,0]=4 863 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 864 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|0,1,0]=3 866 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|0,1,0]=3 867 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|0,1,0]=3 868 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 869 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 870 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 871 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 872 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|1,1,0]=4 873 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|1,1,0]=4 874 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,0]=3 875 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,0]=3 876 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,2,0,0,0,0|1,0,0]=3 877 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,2,0,0,0,0|2,0,0]=4 878 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,2,0,0,0,0|2,0,0]=4 879 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|1,0,0]=3 880 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|1,0,0]=3 881 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|1,0,0]=3 882 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|0,0,0]=2 883 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,2,0,0,0,0|2,0,0]=4 884 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,2,0,0,0,0|2,0,0]=4 885 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|1,0,0]=3 886 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|0,0,1]=3 887 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 889 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|2,0,0]=4 890 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|1,0,0]=3 893 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 894 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|1,0,0]=3 897 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|0,0,1]=3 900 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,1]=4 901 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,1]=4 902 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|1,0,1]=4 903 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|1,0,1]=4 904 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|2,0,0]=4 905 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,2,0,0,0,0|1,0,1]=4 906 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,0]=3 907 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|2,0,0]=4 908 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,1]=4 910 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|1,0,1]=4 911 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|1,0,1]=4 912 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 913 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 914 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 915 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,2,0,0,0,0|1,0,1]=4 916 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|0,0,1]=3 917 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|1,0,0]=3 918 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,2,0,0,0,0|1,0,1]=4 919 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,2,0,0,0,0|1,0,1]=4 920 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,0]=3 921 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|1,0,0]=3 923 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|1,0,0]=3 924 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,0,0]=3 926 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,0,0]=3 927 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,0,0]=3 928 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,0,0]=3 929 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,0,0]=3 930 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 933 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 935 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 936 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,0]=3 937 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,0]=2 938 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|1,0,0]=3 939 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 940 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 941 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 942 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,0,1]=4 943 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|2,0,0]=4 945 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|2,0,0]=4 946 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 947 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 948 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 949 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,1]=4 951 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 952 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 954 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,2,0,0,0,0|1,0,1]=4 955 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|1,0,0]=3 959 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|1,0,0]=3 960 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|1,0,0]=3 961 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,0]=3 962 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 963 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 964 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,0]=3 965 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 966 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|1,0,0]=3 967 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 968 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 969 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 970 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|1,0,0]=3 971 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|1,0,0]=3 972 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|1,0,0]=3 973 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 975 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|2,0,0]=4 976 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|2,0,0]=4 978 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|2,0,0]=4 979 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|2,0,0]=4 980 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|2,0,0]=4 981 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|1,0,0]=3 984 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|1,0,0]=3 985 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|1,0,0]=3 986 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|1,0,0]=3 987 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|0,0,0]=2 988 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|0,0,0]=2 989 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|0,0,0]=2 990 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|0,0,0]=2 991 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|0,0,0]=2 992 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|0,0,0]=2 993 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|0,0,0]=2 994 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|0,0,0]=2 995 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|0,0,0]=2 996 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|0,0,0]=2 997 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,0]=3 998 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|1,0,0]=3 999 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,0]=3 1000 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|2,0,0]=4 1001 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,2,0,0,0,0|1,0,0]=3 1002 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,2,0,0,0,0|1,0,0]=3 1003 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,2,0,0,0,0|1,0,0]=3 1004 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1005 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1006 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,2,0,0,0,0|1,0,0]=3 1007 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|1,0,0]=3 1008 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|1,0,0]=3 1009 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1010 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1011 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|1,0,0]=3 1012 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|1,0,0]=3 1013 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,2,0,0,0,0|1,0,0]=3 1014 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|1,0,0]=3 1015 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|1,0,0]=3 1016 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,2,0,0,0,0|1,0,0]=3 1017 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,2,0,0,0,0|1,0,0]=3 1018 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 1019 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 1020 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,2,0,0,0,0|1,0,0]=3 1021 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,2,0,0,0,0|1,0,0]=3 1022 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,2,0,0,0,0|1,0,1]=4 1023 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,2,0,0,0,0|1,0,1]=4 1024 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|1,0,1]=4 1025 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|1,0,0]=3 1026 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|1,0,0]=3 1027 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|1,0,0]=3 1028 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|1,0,0]=3 1029 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|1,0,0]=3 1032 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,2,0,0,0,0|1,0,0]=3 1033 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,2,0,0,0,0|1,0,0]=3 1034 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,2,0,0,0,0|1,0,0]=3 1035 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,2,0,0,0,0|1,0,0]=3 1036 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,2,0,0,0,0|1,0,0]=3 1037 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,2,0,0,0,0|2,0,0]=4 1038 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,2,0,0,0,0|1,0,1]=4 1039 B7R0.13 CNS(=O)(=O)C(C)C 270084a_100102657272_100000742656 [0,2,0,0,0,0|1,0,1]=4 1040 B7R0.13 CNS(=O)(=O)C(C)C 274078a_100102657272_100000742656 [0,2,0,0,0,0|1,0,1]=4 1041 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|1,0,0]=3 1042 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1043 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1044 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 1045 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,2,0,0,0,0|1,0,0]=3 1046 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 1047 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|1,0,0]=3 1048 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|1,0,1]=4 1049 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|1,0,0]=3 1051 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|1,0,0]=3 1052 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,2,0,0,0,0|1,0,0]=3 1053 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,2,0,0,0,0|1,0,0]=3 1054 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,2,0,0,0,0|1,0,1]=4 1055 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,2,0,0,0,0|1,0,1]=4 1056 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,2,0,0,0,0|2,0,0]=4 1058 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,2,0,0,0,0|1,0,1]=4 1059 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,2,0,0,0,0|1,0,1]=4 1060 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,2,0,0,0,0|2,0,0]=4 1062 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,2,0,0,0,0|1,0,1]=4 1064 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|1,0,0]=3 1065 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|1,0,0]=3 1066 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|1,0,0]=3 1067 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|1,0,0]=3 1068 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|1,0,0]=3 1069 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|1,0,0]=3 1070 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,2,0,0,0,0|1,0,0]=3 1071 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,2,0,0,0,0|1,0,0]=3 1072 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,2,0,0,0,0|1,0,0]=3 1073 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,2,0,0,0,0|1,0,0]=3 1074 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,2,0,0,0,0|1,0,0]=3 1075 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,2,0,0,0,0|1,0,0]=3 1076 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,2,0,0,0,0|1,0,0]=3 1077 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,2,0,0,0,0|1,0,0]=3 1078 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,2,0,0,0,0|1,0,0]=3 1079 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,2,0,0,0,0|2,0,0]=4 1080 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,2,0,0,0,0|2,0,0]=4 1081 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|1,0,1]=4 1084 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|1,0,1]=4 1085 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.14 O=C(CO)C(F)(F)F 1458a_100000210174_200000243211 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 1088 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 1091 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|1,0,1]=4 1092 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|1,0,1]=4 1093 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|1,0,1]=4 1094 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|1,0,1]=4 1095 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|0,0,1]=3 1096 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|0,0,1]=3 1097 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1098 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1099 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 1100 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1101 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1102 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|1,0,0]=3 1103 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|1,0,0]=3 1104 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|1,0,0]=3 1105 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1106 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|1,0,0]=3 1107 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1108 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|1,0,0]=3 1109 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|1,0,0]=3 1110 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1111 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1112 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|1,0,0]=3 1113 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|1,0,0]=3 1114 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|1,0,0]=3 1115 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 1117 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 1118 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|1,0,0]=3 1120 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|1,0,0]=3 1121 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|1,0,0]=3 1122 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|1,0,0]=3 1123 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|0,0,0]=2 1128 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|0,0,0]=2 1129 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 1130 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 1131 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 1132 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 1133 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,2,0,0,0,0|1,0,1]=4 1134 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|0,0,0]=2 1135 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1137 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1138 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1139 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|1,0,1]=4 1141 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1142 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1143 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 1144 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|1,0,0]=3 1145 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|1,0,0]=3 1146 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|1,0,1]=4 1147 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|1,0,1]=4 1148 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|0,0,0]=2 1150 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1151 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1152 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|2,0,0]=4 1153 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|2,0,0]=4 1154 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|2,0,0]=4 1155 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|2,0,0]=4 1156 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|2,0,0]=4 1157 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,1|2,0,0]=4 1159 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,1|2,0,0]=4 1160 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,1|1,0,0]=3 1161 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,1|2,0,0]=4 1162 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,1|1,0,0]=3 1163 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,1|2,0,0]=4 1164 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,1|1,0,0]=3 1165 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,1|1,0,0]=3 1166 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,1|2,0,0]=4 1167 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,1|2,0,0]=4 1168 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,1|2,0,0]=4 1169 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,1|1,0,0]=3 1170 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,1|1,0,0]=3 1171 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,1|1,0,0]=3 1172 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,1|1,0,0]=3 1173 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|1,0,0]=3 1174 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|1,0,0]=3 1175 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|1,0,0]=3 1176 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|1,0,0]=3 1177 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|1,0,0]=3 1178 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|1,0,0]=3 1179 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|1,0,0]=3 1180 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1181 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1182 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1183 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1184 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|1,0,0]=3 1185 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|1,0,0]=3 1186 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,0]=3 1187 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,0]=3 1188 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,0]=3 1189 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|2,0,0]=4 1190 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|2,0,0]=4 1191 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|2,0,0]=4 1192 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|1,0,0]=3 1193 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,0]=3 1194 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,0]=3 1195 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|1,0,0]=3 1196 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,0]=3 1197 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|1,0,0]=3 1198 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|1,0,0]=3 1199 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,0]=3 1200 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|1,0,0]=3 1201 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 1202 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 1203 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|1,0,0]=3 1204 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|2,0,0]=4 1205 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|1,0,0]=3 1206 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 1207 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 1208 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 1209 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|2,0,0]=4 1210 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 1211 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 1212 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 1213 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|1,0,1]=4 1214 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 1215 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 1216 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,0]=3 1217 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|2,0,0]=4 1218 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,2|2,0,0]=4 1219 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,2|2,0,0]=4 1220 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,2|2,0,0]=4 1221 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,2|2,0,0]=4 1222 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,2|2,0,0]=4 1223 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,2|2,0,0]=4 1224 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,2|2,0,0]=4 1225 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,2|2,0,0]=4 1226 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,2|2,0,0]=4 1227 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,2|2,0,0]=4 1228 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,2|2,0,0]=4 1229 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,2|2,0,0]=4 1230 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,2|1,0,1]=4 1231 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,2|1,0,0]=3 1232 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,2|1,0,1]=4 1233 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,2|1,0,1]=4 1234 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,2|1,0,0]=3 1235 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,2|1,0,0]=3 1236 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,2|2,0,0]=4 1237 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,2|2,0,0]=4 1238 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,2|2,0,0]=4 1239 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,2|1,0,0]=3 1240 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,2|1,0,0]=3 1241 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,2|1,0,0]=3 1242 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,2|1,0,0]=3 1243 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,2|1,0,0]=3 1244 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,2|1,0,0]=3 1245 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,2|1,0,0]=3 1246 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,2|2,0,0]=4 1247 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,2|2,0,0]=4 1248 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,2|2,0,0]=4 1249 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,2|1,0,0]=3 1250 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,2|2,0,0]=4 1251 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,2|1,0,0]=3 1252 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,2|1,0,0]=3 1253 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,2|1,0,0]=3 1254 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,2|1,0,0]=3 1255 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,2|1,0,0]=3 1256 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,2|0,0,0]=2 1257 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,2|0,0,1]=3 1258 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,2|1,0,1]=4 1259 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,2|1,0,1]=4 1260 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,2|1,0,1]=4 1261 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,2|1,0,0]=3 1262 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,2|1,0,0]=3 1263 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,2|0,0,1]=3 1264 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,2|1,0,1]=4 1265 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,2|1,0,1]=4 1266 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,2|1,0,0]=3 1267 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,2|1,0,0]=3 1268 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,2|1,0,0]=3 1269 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,2|0,0,1]=3 1270 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,2|0,0,1]=3 1271 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,2|1,0,1]=4 1272 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,2|1,0,1]=4 1273 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,2|1,0,1]=4 1274 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,2|1,0,1]=4 1275 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,2|1,0,1]=4 1276 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,2|1,0,1]=4 1277 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,2|1,0,1]=4 1278 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,2|1,0,1]=4 1279 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,2|1,0,1]=4 1280 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,2|1,0,1]=4 1281 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,2|2,0,0]=4 1282 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,2|2,0,0]=4 1283 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,2|2,0,0]=4 1284 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,2|2,0,0]=4 1285 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,2|2,0,0]=4