0 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|1,0,0]=2 111 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|3,0,0]=4 164 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,1]=3 200 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,1]=3 209 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|2,0,0]=3 213 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.5 C#CCN(C)C(C)C 2230a_100000225692_100000210206 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.5 C#CCN(C)C(C)C 34a_100000225692_100000210206 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|1,0,1]=3 237 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|1,1,1]=4 239 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|1,1,1]=4 240 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|2,0,0]=3 243 B7R0.5 CC(C)N(C)CC#N 2230a_100000748184_100000210206 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.5 CC(C)N(C)CC#N 269982a_200000211004_100011214920 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|0,0,0]=1 255 B7R0.5 CC(CC#N)N(C)C 2230a_100102631434_100009813641 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.5 CC(CC#N)N(C)C 269982a_100102631434_100009813641 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 273 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|1,0,1]=3 288 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|0,0,0]=1 305 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|1,1,1]=4 306 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|1,1,1]=4 307 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|1,1,1]=4 308 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|2,1,0]=4 309 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,1,0,0,0,0|2,1,0]=4 310 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|1,0,2]=4 314 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 338 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 343 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|3,0,0]=4 344 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|2,0,0]=3 352 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,1,0,0,0,0|3,0,0]=4 367 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B7R0.14 CN(CF)C(C)(C)C 269982a_100011215553_100015361967 [0,1,0,0,0,0|3,0,0]=4 387 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,1,0,0,0,0|3,0,0]=4 388 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|2,0,0]=3 403 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,0,0,0,0|0,0,0]=1 404 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|0,0,0]=1 405 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|1,0,0]=2 412 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|2,0,0]=3 415 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [0,1,0,0,0,0|3,0,0]=4 417 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [0,1,0,0,0,0|3,0,0]=4 418 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [0,1,0,0,0,0|3,0,0]=4 419 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|2,0,0]=3 424 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,0,0,0,0|0,0,0]=1 430 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|0,0,0]=1 431 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,0,0|1,0,0]=2 437 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,0,0|1,0,0]=2 438 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,2]=4 442 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|1,0,2]=4 443 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|1,0,1]=3 450 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,2]=4 451 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|1,0,2]=4 463 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 467 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 468 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 469 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 470 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 471 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 472 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 473 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 474 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 475 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 476 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 477 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|3,0,0]=4 478 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|3,0,0]=4 479 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|3,0,0]=4 480 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|3,0,0]=4 481 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,1,0,0|2,0,0]=3 482 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,1,0,0|2,0,0]=3 483 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,1,0,0|2,0,0]=3 484 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|2,0,1]=4 486 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|2,0,1]=4 487 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,0,0,1,0,0|3,0,0]=4 488 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 489 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 490 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,1,0,0|3,0,0]=4 491 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,1,0,0|3,0,0]=4 492 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 493 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,0,0,1,0,0|2,0,0]=3 494 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,0,0,1,0,0|2,0,0]=3 495 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,0,0,1,0,0|2,0,0]=3 496 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 498 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 499 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,0,0,1,0,0|2,0,0]=3 500 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,0,0,1,0,0|2,0,0]=3 501 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|2,0,1]=4 502 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|3,0,0]=4 503 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|3,0,0]=4 504 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|3,0,0]=4 505 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|3,0,0]=4 506 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|2,0,1]=4 507 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|3,0,0]=4 508 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 509 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|3,0,0]=4 510 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|3,0,0]=4 511 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 512 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 513 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 514 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [0,0,0,1,0,0|3,0,0]=4 515 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|3,0,0]=4 516 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|3,0,0]=4 517 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|3,0,0]=4 518 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|3,0,0]=4 519 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|3,0,0]=4 520 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|2,0,1]=4 521 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,0,0,0,0,1|2,0,1]=4 522 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,0,0,0,0,1|2,0,1]=4 523 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,0,0,0,0,1|2,0,1]=4 524 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,0,0,0,0,1|2,0,1]=4 525 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,0,0,0,0,1|2,0,1]=4 526 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,0,0,0,0,1|2,0,1]=4 527 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,0,0,0,0,1|2,0,1]=4 528 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,0,0,0,0,1|2,0,1]=4 529 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,0,0,0,0,1|2,0,1]=4 530 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,1|2,0,1]=4 531 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,1|2,0,1]=4 532 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,1|2,0,1]=4 533 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,0,0,0,0,1|2,0,1]=4 534 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,0,0,0,1|1,0,1]=3 535 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,0,0,0,1|3,0,0]=4 536 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,0,0,0,1|3,0,0]=4 537 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,0,0,0,1|3,0,0]=4 538 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,0,0,0,1|3,0,0]=4 539 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,0,0,0,1|3,0,0]=4 540 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,0,0,0,0,1|3,0,0]=4 541 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,0,0,0,1|1,0,1]=3 542 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,0,0,0,1|1,0,1]=3 543 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,0,0,0,0,1|2,0,1]=4 544 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,0,0,0,0,1|2,0,1]=4 545 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,0,0,0,0,1|1,0,0]=2 546 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,0,0,0,0,1|1,0,0]=2 547 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,0,0,0,0,1|1,0,0]=2 548 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,0,0,0,0,1|2,0,1]=4 549 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,0,0,0,0,1|2,0,0]=3 550 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,0,0,0,0,1|2,0,0]=3 551 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,0,0,0,0,1|2,0,0]=3 552 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,0,0,0,1|1,0,0]=2 553 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,0,0,0,0,1|2,0,1]=4 554 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,0,0,0,0,1|2,0,1]=4 555 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,0,0,0,0,1|1,0,0]=2 556 B7R0.2 CC(C)SC(F)C#N 62a_100000210206_200000117898 [0,0,0,0,0,1|2,0,1]=4 557 B7R0.2 CC(C)SC(F)C#N 62a_200000117898_100000210206 [0,0,0,0,0,1|2,0,1]=4 558 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,0,0,0,0,1|1,0,0]=2 559 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,0,0,0,0,1|1,0,0]=2 560 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,0,1|2,0,1]=4 561 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,0,1|2,0,1]=4 562 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,0,1|2,0,1]=4 563 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 564 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 565 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 566 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 567 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 568 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 569 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 570 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 571 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,1|3,0,0]=4 572 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 573 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 574 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|2,0,0]=3 575 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|2,0,0]=3 576 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|2,0,0]=3 577 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|2,0,0]=3 578 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|2,0,0]=3 579 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|2,0,0]=3 580 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|2,0,0]=3 581 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,0,0,0,0,1|3,0,0]=4 582 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,0,0,0,0,1|3,0,0]=4 583 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,0,0,0,1|3,0,0]=4 584 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,0,0,0,1|3,0,0]=4 585 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,0,0,0,1|3,0,0]=4 586 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,0,0,0,1|3,0,0]=4 587 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,0,0,0,1|3,0,0]=4 588 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,0,0,0,1|3,0,0]=4 589 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,0,0,0,1|3,0,0]=4 590 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,0,0,0,1|3,0,0]=4 591 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 592 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 593 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,0,0,0,0,1|2,0,0]=3 594 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,0,0,0,0,1|2,0,0]=3 595 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,0,0,0,0,1|2,0,0]=3 596 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,0,0,0,0,1|3,0,0]=4 597 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,0,0,0,0,1|2,0,0]=3 598 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,0,0,0,0,1|2,0,0]=3 599 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,0,0,0,0,1|2,0,0]=3 600 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,0,0,0,1|3,0,0]=4 601 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,0,0,0,1|3,0,0]=4 602 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,0,0,0,1|3,0,0]=4 603 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,0,0,0,1|3,0,0]=4 604 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,0,0,0,1|3,0,0]=4 605 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,0,0,0,1|3,0,0]=4 606 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,0,0,0,1|3,0,0]=4 607 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,0,0,0,0,1|3,0,0]=4 608 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,0,0,0,0,1|3,0,0]=4 609 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,0,0,0,1|3,0,0]=4 610 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,0,0,0,1|3,0,0]=4 611 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,0,0,0,1|2,0,0]=3 612 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,0,0,0,1|2,0,0]=3 613 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 614 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 615 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 616 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,0]=3 617 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,0]=3 618 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,0]=3 619 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,1]=4 620 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,1]=4 621 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,1]=4 622 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,0]=3 623 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,0]=3 624 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,0]=3 625 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,0]=3 626 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,0]=3 627 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,0]=3 628 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [2,0,0,0,0,0|2,0,0]=4 629 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 630 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 631 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,0]=3 632 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 633 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 634 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,0]=3 635 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,0]=3 636 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,0]=3 637 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,0]=3 638 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 639 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 640 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 641 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 642 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 643 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 644 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 645 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 646 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 647 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 648 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 649 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|2,0,0]=4 650 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|2,0,0]=4 651 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 652 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|2,0,0]=4 653 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 654 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 655 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 656 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 657 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 658 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 659 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 660 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 661 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 662 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 663 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 664 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 665 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 666 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 667 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 668 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 669 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 670 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 671 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 672 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 674 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 675 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 676 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 677 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 678 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 679 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 680 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 681 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 684 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|0,0,0]=2 693 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|0,0,0]=2 694 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [1,1,0,0,0,0|2,0,0]=4 696 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 697 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 699 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|2,0,0]=4 703 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|2,0,0]=4 705 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|2,0,0]=4 706 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|2,0,0]=4 708 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|2,0,0]=4 711 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,1,0,0,0,0|2,0,0]=4 714 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,1,0,0,0,0|2,0,0]=4 716 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,0]=3 717 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,0]=3 718 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,0]=3 719 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,0]=3 720 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,0]=3 721 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,0]=3 722 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 723 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,0]=3 724 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 725 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 726 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 727 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,0]=3 728 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,0]=3 729 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,0]=3 730 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,0]=3 731 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 732 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|2,0,0]=4 734 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 735 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 736 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|2,0,0]=4 737 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,1,0,0,0,0|2,0,0]=4 738 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 740 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,1,0,0,0,0|2,0,0]=4 741 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,1,0,0,0,0|2,0,0]=4 742 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|1,0,0]=3 743 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 744 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 745 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|1,0,0]=3 746 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 747 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 748 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 749 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 750 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|2,0,0]=4 752 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|2,0,0]=4 753 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 754 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|2,0,0]=4 755 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|2,0,0]=4 756 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 757 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 758 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 759 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|2,0,0]=4 760 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|2,0,0]=4 761 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|2,0,0]=4 762 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 763 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|2,0,0]=4 764 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|2,0,0]=4 765 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|2,0,0]=4 766 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 767 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 768 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|2,0,0]=4 769 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 770 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|2,0,0]=4 771 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|2,0,0]=4 773 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|2,0,0]=4 775 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|2,0,0]=4 777 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|1,0,0]=3 778 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|1,0,1]=4 779 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 780 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 781 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|0,0,0]=2 782 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|0,0,0]=2 783 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|0,0,0]=2 784 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 785 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|2,0,0]=4 786 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|2,0,0]=4 787 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 788 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|2,0,0]=4 789 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 790 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 791 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|2,0,0]=4 792 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 793 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|2,0,0]=4 794 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [1,1,0,0,0,0|1,0,1]=4 795 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|0,0,0]=2 796 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|0,0,0]=2 797 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|2,0,0]=4 798 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,0,0]=3 799 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|0,0,0]=2 800 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|2,0,0]=4 801 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [1,1,0,0,0,0|2,0,0]=4 802 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [1,1,0,0,0,0|2,0,0]=4 803 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 804 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|2,0,0]=4 805 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|2,0,0]=4 806 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|2,0,0]=4 810 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|2,0,0]=4 813 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|2,0,0]=4 815 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,1,0,0,0,0|1,0,1]=4 816 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,1,0,0,0,0|1,0,1]=4 817 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|0,0,0]=2 818 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|0,0,0]=2 819 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|2,0,0]=4 821 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|2,0,0]=4 824 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|0,0,0]=2 825 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|0,0,0]=2 826 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,1,0,0,0,0|2,0,0]=4 827 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 828 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,1]=4 830 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,2]=4 831 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,2]=4 832 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,2]=4 835 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|2,0,0]=4 837 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 838 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|2,0,0]=4 839 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|2,0,0]=4 840 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 841 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 843 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 844 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|1,0,0]=3 847 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|1,0,0]=3 848 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|1,0,0]=3 849 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|1,0,0]=3 850 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|1,0,0]=3 851 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|1,0,0]=3 852 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|1,0,0]=3 858 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|1,0,0]=3 859 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [1,1,0,0,0,0|2,0,0]=4 860 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [1,1,0,0,0,0|2,0,0]=4 861 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|0,0,2]=4 868 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|0,0,2]=4 869 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|0,0,2]=4 870 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 871 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 874 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|0,0,2]=4 884 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 890 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 891 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,0,0]=2 892 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,0,0]=2 893 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,1,0]=3 894 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,1,0]=3 895 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,0,0]=3 896 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|1,0,0]=3 897 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|1,0,0]=3 898 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|1,0,0]=3 899 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,1,0,0,0,0|1,0,1]=4 900 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|0,0,2]=4 901 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|0,0,2]=4 902 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,0]=3 903 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,0]=3 904 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,0]=3 905 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|0,0,0]=2 906 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|0,0,0]=2 907 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|0,0,0]=2 908 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|0,0,0]=2 909 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|0,0,2]=4 910 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,0,0]=3 911 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,0,0]=3 912 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|1,0,0]=3 913 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|0,0,0]=2 914 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|1,1,0]=4 915 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|1,1,0]=4 916 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,1,0,0,0,0|1,0,1]=4 917 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,1,0,0,0,0|1,0,1]=4 918 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|0,0,2]=4 919 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|0,0,2]=4 920 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|1,0,0]=3 921 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|1,0,0]=3 922 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|0,0,0]=2 923 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|0,0,0]=2 924 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|2,0,0]=4 926 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,1,0]=4 927 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,1,0]=4 928 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|2,0,0]=4 929 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|2,0,0]=4 930 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|2,0,0]=4 931 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 932 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 933 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 934 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 935 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 936 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 938 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 939 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,0]=3 940 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,0]=3 941 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,0]=3 942 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,0]=3 943 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 944 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,0]=3 945 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,0]=3 946 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 947 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 948 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|2,0,0]=4 951 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 952 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,0]=3 953 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,0]=3 954 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|2,0,0]=4 956 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 957 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 958 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 959 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|2,0,0]=4 960 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,0]=3 961 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,0]=3 962 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|2,0,0]=4 963 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|2,0,0]=4 964 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|2,0,0]=4 965 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|2,0,0]=4 966 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [1,1,0,0,0,0|2,0,0]=4 967 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [1,1,0,0,0,0|2,0,0]=4 968 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [1,1,0,0,0,0|2,0,0]=4 969 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 970 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 971 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|1,0,0]=3 972 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|1,0,0]=3 973 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|1,0,0]=3 974 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|1,0,0]=3 975 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|1,1,0]=4 976 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|1,0,0]=3 978 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|1,0,0]=3 979 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,0]=3 980 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,0]=3 981 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,0]=3 982 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,0]=3 983 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|2,0,0]=4 986 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 987 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 988 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|2,0,0]=4 989 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|2,0,0]=4 990 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|0,0,2]=4 991 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|0,0,2]=4 992 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 996 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 998 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,0,0]=2 999 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,0,0]=2 1000 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,0,0]=2 1001 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,0]=3 1002 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|1,0,0]=3 1004 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|1,0,0]=3 1005 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|1,0,0]=3 1006 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|1,0,0]=3 1007 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|1,0,0]=3 1008 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|1,0,0]=3 1009 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 1010 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|1,0,0]=3 1011 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|1,0,0]=3 1012 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|1,0,0]=3 1013 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|1,0,0]=3 1014 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,1,0]=3 1015 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,1,0]=3 1016 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,1,0]=4 1017 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,1,0]=4 1018 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|1,1,0]=4 1019 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|1,1,0]=4 1020 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|1,1,0]=4 1021 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|1,1,0]=4 1022 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|1,1,0]=4 1023 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|1,1,0]=4 1024 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|1,1,0]=4 1025 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,1,0]=4 1026 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,1,0]=4 1027 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|1,1,0]=4 1028 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|1,1,0]=4 1029 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|1,1,0]=4 1030 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|1,1,0]=4 1031 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|1,1,0]=4 1032 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 1033 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 1034 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|2,0,0]=4 1035 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|2,0,0]=4 1036 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|2,0,0]=4 1037 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|2,0,0]=4 1038 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|2,0,0]=4 1041 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|2,0,0]=4 1048 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|2,0,0]=4 1049 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1050 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1051 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|2,0,0]=4 1052 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|2,0,0]=4 1053 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1054 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|2,0,0]=4 1055 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1056 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,1,0,0,0,0|2,0,0]=4 1057 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,1,0,0,0,0|2,0,0]=4 1058 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|2,0,0]=4 1060 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|2,0,0]=4 1061 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1062 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|2,0,0]=4 1063 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|2,0,0]=4 1065 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|2,0,0]=4 1066 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|2,0,0]=4 1067 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|2,0,0]=4 1069 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|2,0,0]=4 1070 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1071 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|2,0,0]=4 1072 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|2,0,0]=4 1073 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|2,0,0]=4 1074 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1075 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|2,0,0]=4 1076 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,1,0,0,0,0|2,0,0]=4 1077 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [1,1,0,0,0,0|2,0,0]=4 1080 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [1,1,0,0,0,0|2,0,0]=4 1082 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 1083 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 1084 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 1085 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 1086 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,0]=3 1088 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,0]=3 1089 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,0]=3 1090 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|2,0,0]=4 1091 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|2,0,0]=4 1094 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|2,0,0]=4 1096 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|0,0,0]=2 1097 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|0,0,0]=2 1098 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,1,0,0,0,0|1,0,0]=3 1099 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [1,1,0,0,0,0|2,0,0]=4 1100 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,1,0,0,0,0|1,0,0]=3 1101 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|1,0,1]=4 1103 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|1,0,1]=4 1105 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|1,0,1]=4 1106 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1107 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|1,0,1]=4 1108 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [1,1,0,0,0,0|2,0,0]=4 1109 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [1,1,0,0,0,0|2,0,0]=4 1110 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,1|1,0,0]=3 1112 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,1|1,0,1]=4 1113 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,1|1,0,1]=4 1114 B8R0.2 CC(C)N(C)C(C)CO 2230a_100000693034_100000210206 [0,1,0,0,0,1|1,0,0]=3 1115 B8R0.2 CC(C)N(C)C(C)CO 269982a_100000693034_100000210206 [0,1,0,0,0,1|1,0,0]=3 1116 B8R0.2 CC(C)N(C)[C@H](C)CO 269982a_200000211004_100016084084 [0,1,0,0,0,1|1,0,0]=3 1117 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,1|2,0,0]=4 1118 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,1|2,0,0]=4 1119 B8R0.2 CCC(C)N(C)C(C)C 2230a_100000741768_100000210206 [0,1,0,0,0,1|2,0,0]=4 1120 B8R0.2 CCC(C)N(C)C(C)C 269982a_100000741768_100000210206 [0,1,0,0,0,1|2,0,0]=4 1121 B8R0.2 CCC(C)N(C)C(C)C 269982a_200000211004_100000758301 [0,1,0,0,0,1|2,0,0]=4 1122 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,0,0,0,1|2,0,0]=4 1123 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [0,1,0,0,0,1|2,0,0]=4 1124 B8R0.5 C#CCC(C)OC(C)C 34a_100000685586_100000210206 [0,1,0,0,0,1|2,0,0]=4 1125 B8R0.5 C#CCC(C)OC(C)C 7a_100000685586_100000210206 [0,1,0,0,0,1|2,0,0]=4 1126 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,0,0,0,1|2,0,0]=4 1127 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,0,0,0,1|2,0,0]=4 1128 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,0,0,0,1|1,0,1]=4 1129 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,0,0,0,1|1,0,1]=4 1130 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1131 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1132 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,1|2,0,0]=4 1133 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,1|2,0,0]=4 1134 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,1,0,0,0,1|2,0,0]=4 1135 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,1,0,0,0,1|2,0,0]=4 1136 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,1,0,0,0,1|2,0,0]=4 1137 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,1,0,0,0,1|2,0,0]=4 1138 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,1,0,0,0,1|2,0,0]=4 1139 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,1,0,0,0,1|2,0,0]=4 1140 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,1,0,0,0,1|2,0,0]=4 1141 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,1,0,0,0,1|2,0,0]=4 1142 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,1,0,0,0,1|2,0,0]=4 1143 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,1|0,0,0]=2 1144 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,0,0,0,1|1,0,1]=4 1145 B8R0.5 CC(C)NC(C)CC#N 2230a_100138425928_100009813641 [0,1,0,0,0,1|2,0,0]=4 1146 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,1,0,0,0,1|1,0,0]=3 1147 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,1,0,0,0,1|1,0,0]=3 1148 B8R0.5 CC(C)N[C@@H](C)CC#N 2230a_100016994482_100000210206 [0,1,0,0,0,1|2,0,0]=4 1149 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,1,0,0,0,1|1,0,0]=3 1150 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,1,0,0,0,1|1,0,0]=3 1151 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,0,0,0,1|2,0,0]=4 1152 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,0,0,0,1|1,0,0]=3 1153 B8R0.5 CC(C)SC(C)CC#N 62a_100000210206_100009813641 [0,1,0,0,0,1|2,0,0]=4 1154 B8R0.5 CC(C)SC(C)CC#N 62a_100009813641_100000210206 [0,1,0,0,0,1|2,0,0]=4 1155 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,1,0,0,0,1|1,0,0]=3 1156 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,1,0,0,0,1|1,0,0]=3 1157 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,0,0,0,1|2,0,0]=4 1158 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,0,0,0,1|2,0,0]=4 1159 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,0,0,0,1|2,0,0]=4 1160 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,1|2,0,0]=4 1161 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,1|2,0,0]=4 1162 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,1|2,0,0]=4 1163 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,1,0,0,0,1|2,0,0]=4 1164 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,1,0,0,0,1|2,0,0]=4 1165 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,1|2,0,0]=4 1166 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,1|2,0,0]=4 1167 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1168 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,1|2,0,0]=4 1169 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1170 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,1|2,0,0]=4 1171 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,1|2,0,0]=4 1172 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,1|1,0,1]=4 1173 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,1|1,0,1]=4 1174 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,1|1,0,1]=4 1175 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,1|1,0,1]=4 1176 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,1|1,0,1]=4 1177 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,1|1,0,1]=4 1178 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,1|1,0,1]=4 1179 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,1,0,0,0,1|1,0,0]=3 1180 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,1,0,0,0,1|1,0,0]=3 1181 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,1|1,0,0]=3 1182 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,1,0,0,0,1|1,0,0]=3 1183 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,1,0,0,0,1|1,0,0]=3 1184 B8R0.5 COCC(O)CN(C)C 2230a_100000739405_200000210301 [0,1,0,0,0,1|2,0,0]=4 1185 B8R0.5 COCC(O)CN(C)C 269982a_100000739405_200000210301 [0,1,0,0,0,1|2,0,0]=4 1186 B8R0.5 COCC(O)CN(C)[13CH3] 2230a_100000739405_200025704644 [0,1,0,0,0,1|2,0,0]=4 1187 B8R0.5 COCC(O)CN(C)[13CH3] 269982a_100000739405_200025704644 [0,1,0,0,0,1|2,0,0]=4 1188 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,1,0,0,0,1|2,0,0]=4 1189 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,1,0,0,0,1|2,0,0]=4 1190 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,1,0,0,0,1|1,0,0]=3 1191 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,1|1,0,0]=3 1192 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,1|0,0,0]=2 1193 B8R0.16 C#CC(CC)OC(C)C 34a_100000758843_100000210206 [0,1,0,0,0,1|2,0,0]=4 1194 B8R0.16 C#CC(CC)OC(C)C 7a_100000758843_100000210206 [0,1,0,0,0,1|2,0,0]=4 1195 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,1,0,0,0,1|2,0,0]=4 1196 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,1,0,0,0,1|2,0,0]=4 1197 B8R0.16 C=C[C@@H](CO)NC(C)C 2230a_100016989147_100000210206 [0,1,0,0,0,1|1,0,0]=3 1198 B8R0.16 C=C[C@@H](CO)NC(C)C 34a_100016989147_100000210206 [0,1,0,0,0,1|1,0,0]=3 1199 B8R0.16 CC(C)CC(C#N)N[13CH3] 2230a_100000741378_200025704644 [0,1,0,0,0,1|1,0,1]=4 1200 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,1,0,0,0,1|0,0,0]=2 1201 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,1|0,0,0]=2 1202 B8R0.16 CC(C)NC(CO)CO 2230a_100000759517_100000210206 [0,1,0,0,0,1|1,0,0]=3 1203 B8R0.16 CC(C)OC(CCl)CCl 7a_100000737055_100000210206 [0,1,0,0,0,1|2,0,0]=4 1204 B8R0.16 CC(C)OC(CF)CF 34a_100000032261_100000210206 [0,1,0,0,0,1|2,0,0]=4 1205 B8R0.16 CC(C)OC(CF)CF 7a_100000032261_100000210206 [0,1,0,0,0,1|2,0,0]=4 1206 B8R0.16 CC(C)OC(CN)CN 34a_100000031598_100000210206 [0,1,0,0,0,1|1,0,0]=3 1207 B8R0.16 CC(C)O[C@@H](CF)CCl 34a_100015614560_100000210206 [0,1,0,0,0,1|2,0,0]=4 1208 B8R0.16 CC(C)O[C@@H](CF)CCl 7a_100015614560_100000210206 [0,1,0,0,0,1|2,0,0]=4 1209 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [0,1,0,0,0,1|2,0,0]=4 1210 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,1,0,0,0,1|2,0,0]=4 1211 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [0,1,0,0,0,1|2,0,0]=4 1212 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [0,1,0,0,0,1|2,0,0]=4 1213 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [0,1,0,0,0,1|1,0,0]=3 1214 B8R0.16 CNC(C#N)CC(C)C 2230a_100000741378_200000210301 [0,1,0,0,0,1|1,0,1]=4 1215 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,1,0,0,0,1|0,0,0]=2 1216 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,1|0,0,0]=2 1217 B8R0.19 C#CC(C)NC(C)CO 2230a_100000707721_100012180447 [0,1,0,0,0,1|1,0,1]=4 1218 B8R0.19 C#CC(C)NC(C)CO 34a_100000707721_100012180447 [0,1,0,0,0,1|1,0,1]=4 1219 B8R0.19 C#CC(C)S[C@H](C)CO 62a_200000035995_100016084084 [0,1,0,0,0,1|1,0,1]=4 1220 B8R0.19 C#C[C@@H](C)OC(C)CO 34a_100009815206_100012180447 [0,1,0,0,0,1|1,0,1]=4 1221 B8R0.19 C#C[C@@H](C)OC(C)CO 7a_100009815206_100012180447 [0,1,0,0,0,1|1,0,1]=4 1222 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,1,0,0,0,1|1,0,1]=4 1223 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,1,0,0,0,1|1,0,1]=4 1224 B8R0.19 CC(C#N)NC(C)CO 2230a_100000737613_100012180447 [0,1,0,0,0,1|1,0,1]=4 1225 B8R0.19 CC(C#N)N[C@H](C)CO 2230a_100000737577_100000184139 [0,1,0,0,0,1|1,0,1]=4 1226 B8R0.19 CC(C#N)OC(C)CO 34a_100011218135_100012180447 [0,1,0,0,0,1|1,0,1]=4 1227 B8R0.19 CC(C#N)SC(C)CO 62a_100012180447_100000703298 [0,1,0,0,0,1|1,0,1]=4 1228 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100000703298_100016084084 [0,1,0,0,0,1|1,0,1]=4 1229 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100016084084_100000703298 [0,1,0,0,0,1|1,0,1]=4 1230 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,1|1,0,0]=3 1231 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,0,0,0,1|1,0,0]=3 1232 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,0,0,0,1|1,0,0]=3 1233 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,0,0,0,1|1,0,0]=3 1234 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,0,0,0,1|1,0,0]=3 1235 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|1,0,1]=4 1236 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,0,0,0,1|2,0,0]=4 1237 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,0,0,0,1|2,0,0]=4 1238 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,0,0,0,1|2,0,0]=4 1239 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|1,0,1]=4 1240 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|1,0,1]=4 1241 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,1,0,0,0,1|2,0,0]=4 1242 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,0,0,0,1|1,0,0]=3 1243 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,0,0,0,1|1,0,0]=3 1244 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,0,0,0,1|2,0,0]=4 1245 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,1,0,0,0,1|2,0,0]=4 1246 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,1,0,0,0,1|2,0,0]=4 1247 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,0,0,0,1|2,0,0]=4 1248 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,1|1,0,0]=3 1249 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,1,0,0,0,1|2,0,0]=4 1250 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,0,0,0,1|1,0,0]=3 1251 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,1|2,0,0]=4 1252 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,1|2,0,0]=4 1253 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,0,0,0,1|1,0,0]=3 1254 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,0,0,0,1|1,0,0]=3 1255 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,0,0,0,1|2,0,0]=4 1256 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,0,0,0,1|2,0,0]=4 1257 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,0,0,0,1|2,0,0]=4 1258 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,0,0,0,1|2,0,0]=4 1259 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,0,0,0,1|2,0,0]=4 1260 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,0,0,0,1|2,0,0]=4 1261 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|1,0,1]=4 1262 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,1,0,0,0,1|2,0,0]=4 1263 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,0,0,0,1|1,0,0]=3 1264 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,0,0,0,1|1,0,0]=3 1265 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,0,0,0,1|1,0,0]=3 1266 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|1,0,1]=4 1267 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,1|1,0,1]=4 1268 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,1|1,0,1]=4 1269 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|1,0,1]=4 1270 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|1,0,1]=4 1271 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,0,0,0,1|1,0,0]=3 1272 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,1|1,0,1]=4 1273 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,1|1,0,1]=4 1274 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,1|1,0,1]=4 1275 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,1,0,0,0,1|1,0,1]=4 1276 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,1|1,0,1]=4 1277 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,1|1,0,1]=4 1278 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,1|1,0,1]=4 1279 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,1,0,0,0,1|2,0,0]=4 1280 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,1|1,0,1]=4 1281 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,0,0,0,1|2,0,0]=4 1282 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,1,0,0,0,1|1,0,1]=4 1283 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,1,0,0,0,1|1,0,1]=4 1284 B8R0.24 CC(CF)OC(C)(C)C 34a_100016041109_100000210625 [0,1,0,0,0,1|2,0,0]=4 1285 B8R0.24 CC(CN)OC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,0,1|2,0,0]=4 1286 B8R0.24 CC(CO)NC(C)(C)C 2230a_100000715429_100012180447 [0,1,0,0,0,1|1,0,0]=3 1287 B8R0.24 CC(CO)OC(C)(C)C 34a_100015890283_100012180447 [0,1,0,0,0,1|1,0,0]=3 1288 B8R0.24 CC(CO)OC(C)(C)C 7a_100015890283_100012180447 [0,1,0,0,0,1|1,0,0]=3 1289 B8R0.24 CC(CO)SC(C)(C)C 62a_100012180447_100000211941 [0,1,0,0,0,1|1,0,0]=3 1290 B8R0.24 CCC(C)NC(C)(C)C 2230a_100000715429_100000758301 [0,1,0,0,0,1|2,0,0]=4 1291 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,1,0,0,0,1|2,0,0]=4 1292 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,1,0,0,0,1|2,0,0]=4 1293 B8R0.24 CCC(C)SC(C)(C)C 62a_100000211941_100000758301 [0,1,0,0,0,1|2,0,0]=4 1294 B8R0.24 CCC(C)SC(C)(C)C 62a_100000758301_100000211941 [0,1,0,0,0,1|2,0,0]=4 1295 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100000211941_100016084084 [0,1,0,0,0,1|1,0,0]=3 1296 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100016084084_100000211941 [0,1,0,0,0,1|1,0,0]=3 1297 B8R0.34 CC(C)NC(C)(C)CO 2230a_100000210608_100000210206 [0,1,0,0,0,1|1,0,0]=3 1298 B8R0.34 CC(C)OC(C)(C)CCl 7a_100000764493_100000210206 [0,1,0,0,0,1|2,0,0]=4 1299 B8R0.34 CC(C)SC(F)(F)CO 62a_100000210206_100011217949 [0,1,0,0,0,1|1,0,0]=3 1300 B8R0.34 CC(C)SC(F)(F)CO 62a_100011217949_100000210206 [0,1,0,0,0,1|1,0,0]=3 1301 B8R0.34 CCC(C)(C)NC(C)C 2230a_100000211385_100000210206 [0,1,0,0,0,1|2,0,0]=4 1302 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,1,0,0,0,1|2,0,0]=4 1303 B8R0.34 CCC(C)(C)SC(C)C 62a_100000032637_100000210206 [0,1,0,0,0,1|2,0,0]=4 1304 B8R0.34 CCC(C)(C)SC(C)C 62a_100000210206_100000032637 [0,1,0,0,0,1|2,0,0]=4 1305 B8R0.34 CN(C)CC(C)(C)CO 2230a_100000732702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1306 B8R0.34 CN(C)CC(C)(C)CO 269982a_100000732702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1307 B8R0.34 CN([13CH3])CC(C)(C)CO 2230a_100000732702_200025704644 [0,1,0,0,0,1|2,0,0]=4 1308 B8R0.34 CN([13CH3])CC(C)(C)CO 269982a_100000732702_200025704644 [0,1,0,0,0,1|2,0,0]=4 1309 B8R0.3 C#CCN(C)C(C)CO 2230a_100000225692_100012180447 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.3 C#CCN(C)C(C)CO 2230a_100000693034_100000038162 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.3 C#CCN(C)C(C)CO 34a_100000225692_100012180447 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.3 C=CCN(C)C(C)CO 2230a_100000225617_100012180447 [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.3 C=CCN(C)C(C)CO 2230a_100000693034_100000210623 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.3 C=CCN(C)C(C)CO 269982a_100000693034_100000210623 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.3 C=CCN(C)[C@H](C)CO 269982a_100000225617_100016084084 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.3 CC(CCO)N(C)CF 269982a_100000731037_100015361967 [0,2,0,0,0,0|2,0,0]=4 1319 B8R0.3 CC(CO)N(C)CC#N 2230a_100000693034_100011215382 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.3 CC(CO)N(C)CC#N 2230a_100000748184_100012180447 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.3 CC(CO)N(C)CC#N 269982a_100000693034_100011214920 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,1]=4 1331 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1336 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,1]=4 1340 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,2,0,0,0,0|2,0,0]=4 1341 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 1345 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1350 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|2,0,0]=4 1351 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,2,0,0,0,0|2,0,0]=4 1360 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,2,0,0,0,0|2,0,0]=4 1361 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,2,0,0,0,0|2,0,0]=4 1362 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,2,0,0,0,0|2,0,0]=4 1366 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,1]=4 1369 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,1]=4 1370 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,1]=4 1372 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1373 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1374 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,1]=4 1375 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,1]=4 1376 B8R0.3 CSCN(C)C(C)CO 2230a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 1377 B8R0.3 CSCN(C)C(C)CO 269982a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.8 C#CCNC(C)C(C)C 2230a_100000211541_100000038162 [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.8 C#CCOC(C)C(C)C 7a_100000748068_100000038162 [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|1,0,1]=4 1385 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 1386 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 1387 B8R0.8 CC(C)C(C)NCC#N 2230a_100000211541_100011215382 [0,2,0,0,0,0|2,0,0]=4 1388 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|1,0,0]=3 1391 B8R0.8 CC(C)C(C)OCC#N 7a_100000748068_100011215382 [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|1,0,1]=4 1393 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|1,0,0]=3 1395 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|0,0,0]=2 1396 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,2,0,0,0,0|2,0,0]=4 1400 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,2,0,0,0,0|0,0,0]=2 1405 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,2,0,0,0,0|2,0,0]=4 1412 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|0,0,0]=2 1413 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|1,0,1]=4 1414 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|0,0,0]=2 1417 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 1418 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 1419 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 1420 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,2,0,0,0,0|2,0,0]=4 1421 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 1422 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 1423 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,2,0,0,0,0|1,0,0]=3 1425 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,2,0,0,0,0|1,1,0]=4 1426 B8R0.12 CC(C)C(C)(C)OCF 7a_100011215261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1427 B8R0.12 CCNC(C)(C)C(C)C 2230a_200160471154_100000210202 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.12 COCC(C)(C)N(C)C 2230a_100000734271_200000210301 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.12 COCC(C)(C)N(C)C 269982a_100000734271_200000210301 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.12 COCC(C)(C)N(C)[13CH3] 2230a_100000734271_200025704644 [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.12 COCC(C)(C)N(C)[13CH3] 269982a_100000734271_200025704644 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.14 CC(C)(C)N([13CH3])CCO 2230a_100011215626_200025704644 [0,2,0,0,0,0|2,0,0]=4 1437 B8R0.14 CC(C)(C)N([13CH3])CCO 269982a_100011215626_200025704644 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,2,0,0,0,0|2,0,0]=4 1441 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.14 CCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210202 [0,2,0,0,0,0|2,0,0]=4 1443 B8R0.14 CN(CCO)C(C)(C)C 2230a_100011215626_200000210301 [0,2,0,0,0,0|2,0,0]=4 1444 B8R0.14 CN(CCO)C(C)(C)C 269982a_100000210263_100000210625 [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.14 CN(CCO)C(C)(C)C 269982a_100011215553_100000211926 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.14 CN(CCO)C(C)(C)C 269982a_100011215626_200000210301 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|1,0,1]=4 1449 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.14 COCN(C)C(C)(C)C 269982a_100011215553_100000766300 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,2,0,0,0,0|2,0,0]=4 1452 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,2,0,0,0,0|2,0,0]=4 1453 B8R0.15 C#CC(OCF)C(C)C 34a_100011217124_100015361967 [0,2,0,0,0,0|2,0,0]=4 1454 B8R0.15 C#CC(OCF)C(C)C 7a_100011217124_100015361967 [0,2,0,0,0,0|2,0,0]=4 1455 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.15 C=CC(OCF)C(C)C 34a_100000732651_100015361967 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.15 C=CC(OCF)C(C)C 7a_100000732651_100015361967 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [0,2,0,0,0,0|2,0,0]=4 1462 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.15 CC(C)C(C#N)OCF 34a_100000748901_100015361967 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.15 CC(C)C(C#N)OCF 7a_100000748901_100015361967 [0,2,0,0,0,0|1,0,1]=4 1465 B8R0.15 CC(C)C(CCO)N[13CH3] 2230a_100161115045_200025704644 [0,2,0,0,0,0|0,0,0]=2 1466 B8R0.15 CC(C)C(CCO)N[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|0,0,0]=2 1467 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|0,0,0]=2 1468 B8R0.15 CC(C)C(CN)OCF 34a_100000759067_100015361967 [0,2,0,0,0,0|1,0,0]=3 1469 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|0,0,0]=2 1470 B8R0.15 CC(C)N(CF)CCO 269982a_100000224655_100015361967 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.15 CC(C)[C@H](CO)NCF 34a_100011830312_100015361967 [0,2,0,0,0,0|0,0,0]=2 1472 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,2,0,0,0,0|1,0,0]=3 1473 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,2,0,0,0,0|1,0,0]=3 1474 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,2,0,0,0,0|1,0,0]=3 1475 B8R0.15 CCC(COC)N(C)C 270004a_100102631434_100000757811 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,2,0,0,0,0|1,0,0]=3 1477 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,2,0,0,0,0|1,0,0]=3 1478 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.15 CCN(CCO)C(C)C 2230a_100000210973_100000210206 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.15 CCN(CCO)C(C)C 2230a_100000223864_100000211926 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.15 CCN(CCO)C(C)C 2230a_100000224655_100000210202 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.15 CCN(CCO)C(C)C 269982a_100000210973_100000210206 [0,2,0,0,0,0|2,0,0]=4 1488 B8R0.15 CCN(CCO)C(C)C 269982a_100000223864_100000211926 [0,2,0,0,0,0|2,0,0]=4 1489 B8R0.15 CCN(CCO)C(C)C 269982a_100000224655_100000204670 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.15 CCN(COC)C(C)C 2230a_100000223864_100000766300 [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.15 CCN(COC)C(C)C 269982a_100000223864_100000766300 [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [0,2,0,0,0,0|0,0,0]=2 1496 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|0,0,0]=2 1497 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,2,0,0,0,0|1,0,0]=3 1498 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,2,0,0,0,0|2,0,0]=4 1505 B8R0.15 CNC(CCO)C(C)C 2230a_100161115045_200000210301 [0,2,0,0,0,0|0,0,0]=2 1506 B8R0.15 CNC(CCO)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|0,0,0]=2 1507 B8R0.15 CNC(COC)C(C)C 2230a_100000760233_200000210301 [0,2,0,0,0,0|0,0,0]=2 1508 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|0,0,0]=2 1509 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|0,0,0]=2 1510 B8R0.15 COCC(N[13CH3])C(C)C 2230a_100000760233_200025704644 [0,2,0,0,0,0|0,0,0]=2 1511 B8R0.15 C[C@@H](O)[C@@H](CO)NCF 34a_100015196842_100015361967 [0,2,0,0,0,0|1,0,0]=3 1512 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.13 CCN(C)C(C)(C)CO 269982a_100000747347_200000210301 [0,2,0,0,0,0|2,0,0]=4 1514 B8R0.13 CCN(C)C(C)(C)CO 269982a_100015204102_100000204670 [0,2,0,0,0,0|2,0,0]=4 1515 B8R0.13 CCN([13CH3])C(C)(C)CO 269982a_100000747347_200025704644 [0,2,0,0,0,0|2,0,0]=4 1516 B8R0.13 CN(CF)C(C)(C)CO 269982a_100015204102_100015361967 [0,2,0,0,0,0|2,0,0]=4 1517 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.20 CCN(CC)C(C)CO 2230a_100000724800_100012180447 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.20 CCN(CC)C(C)CO 2230a_100000731049_100000210202 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.20 CCN(CC)C(C)CO 269982a_100000731049_100000204670 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.20 CCN(CC)[C@H](C)CO 269956a_100000042499_100016084084 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.20 CCN(CC)[C@H](C)CO 269982a_100000724800_100016084084 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.20 CCN(CF)C(C)CO 269982a_100000731049_100015361967 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,2,0,0,0,0|0,0,0]=2 1527 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,2,0,0,0,0|0,0,0]=2 1528 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.36 CC(C)C(C)(C#N)N[13CH3] 2230a_100000184312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.36 CNC(C)(C#N)C(C)C 2230a_100000184312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.26 CC(C)(C)C(C#N)N[13CH3] 2230a_100000732304_200025704644 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.26 CC(C)(C)[C@@H](CO)N[13CH3] 2230a_100000763378_200025704644 [0,2,0,0,0,0|0,0,0]=2 1533 B8R0.26 CCC(OC)C(C)(C)C 7a_100011215073_200000210301 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.26 CCC(O[13CH3])C(C)(C)C 7a_100011215073_200025704644 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.26 CNC(C#N)C(C)(C)C 2230a_100000732304_200000210301 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.26 CNC(CO)C(F)(F)F 34a_100102657272_100009817051 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.26 CN[C@H](CO)C(C)(C)C 2230a_100000763378_200000210301 [0,2,0,0,0,0|0,0,0]=2 1538 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,2,0,0,0,0|1,0,1]=4 1539 B8R0.18 CC(C)C(N[13CH3])C(C)C 2230a_100000690608_200025704644 [0,2,0,0,0,0|1,0,0]=3 1540 B8R0.18 CC(C)C(N[13CH3])C(C)C 34a_100000690608_200025704644 [0,2,0,0,0,0|1,0,0]=3 1541 B8R0.18 CC(C)C(O[13CH3])C(C)C 34a_100011216681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.18 CC(C)C(O[13CH3])C(C)C 7a_100011216681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,1]=3 1546 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.18 CCC(C(C)C)N(C)C 270004a_100102631434_100000210600 [0,2,0,0,0,0|1,0,0]=3 1550 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|0,0,2]=4 1557 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|0,0,2]=4 1558 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.18 CNC(C(C)C)C(C)C 2230a_100000690608_200000210301 [0,2,0,0,0,0|1,0,0]=3 1560 B8R0.18 CNC(C(C)C)C(C)C 34a_100000690608_200000210301 [0,2,0,0,0,0|1,0,0]=3 1561 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,1]=3 1562 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|2,0,0]=4 1563 B8R0.18 COC(C(C)C)C(C)C 34a_100011216681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.18 COC(C(C)C)C(C)C 7a_100011216681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1565 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|2,0,0]=4 1567 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 1568 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 1569 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,1,0,0|1,1,0]=4 1570 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,1,0,0|1,1,0]=4 1571 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 1572 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 1573 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,1,0,0|1,1,0]=4 1574 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,1,0,0|1,1,0]=4 1575 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|2,0,0]=4 1576 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|2,0,0]=4 1577 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|2,0,0]=4 1578 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 1579 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 1580 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|2,0,0]=4 1581 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 1582 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|2,0,0]=4 1583 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 1584 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|2,0,0]=4 1585 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|2,0,0]=4 1586 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|2,0,0]=4 1587 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|2,0,0]=4 1588 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [1,0,0,1,0,0|2,0,0]=4 1589 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [1,0,0,1,0,0|2,0,0]=4 1590 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 1591 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 1592 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|2,0,0]=4 1593 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|2,0,0]=4 1594 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|2,0,0]=4 1595 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 1596 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 1597 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 1598 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 1599 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 1600 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 1601 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 1602 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 1603 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 1604 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,1,0,0|1,0,0]=3 1605 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 1606 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 1607 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 1608 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,1,0,0|1,0,0]=3 1609 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 1610 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 1611 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 1612 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,1,0,0|2,0,0]=4 1613 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 1614 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 1615 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 1616 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|2,0,0]=4 1617 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|2,0,0]=4 1618 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|2,0,0]=4 1619 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|2,0,0]=4 1620 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|2,0,0]=4 1621 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|2,0,0]=4 1622 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|2,0,0]=4 1623 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,1|2,0,0]=4 1624 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,1|2,0,0]=4 1625 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,1|2,0,0]=4 1626 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,1|2,0,0]=4 1627 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,1|2,0,0]=4 1628 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,1|2,0,0]=4 1629 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,0,0,1,0,1|2,0,0]=4 1630 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,0,0,1,0,1|2,0,0]=4 1631 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,0,0,1,0,1|2,0,0]=4 1632 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,0,0,1,0,1|2,0,0]=4 1633 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,0,0,1,0,1|2,0,0]=4 1634 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,0,0,1,0,1|2,0,0]=4 1635 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,0,0,1,0,1|2,0,0]=4 1636 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,0,0,1,0,1|2,0,0]=4 1637 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,0,0,1,0,1|2,0,0]=4 1638 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,0,0,1,0,1|2,0,0]=4 1639 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,0,0,1,0,1|2,0,0]=4 1640 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,0,0,1,0,1|2,0,0]=4 1641 B8R1.20 CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000210206 [0,0,0,1,0,1|2,0,0]=4 1642 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000210206 [0,0,0,1,0,1|2,0,0]=4 1643 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210206 [0,0,0,1,0,1|2,0,0]=4 1644 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,0,0,1,0,1|2,0,0]=4 1645 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,0,0,1,0,1|2,0,0]=4 1646 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,0,0,1,0,1|2,0,0]=4 1647 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,0,0,1,0,1|2,0,0]=4 1648 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,0,0,1,0,1|2,0,0]=4 1649 B8R1.34 CC(C)NC1COC1 2230a_100016991112_100000210206 [0,0,0,1,0,1|1,0,0]=3 1650 B8R1.34 CC(C)NC1COC1 34a_100138425928_100009818527 [0,0,0,1,0,1|1,0,0]=3 1651 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,0,1,0,1|2,0,0]=4 1652 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,0,1,0,1|2,0,0]=4 1653 B8R1.34 CC(C)OC1COC1 34a_100000212225_100009818527 [0,0,0,1,0,1|1,0,0]=3 1654 B8R1.34 CC(C)OC1CSC1 7a_100000072292_100000210206 [0,0,0,1,0,1|1,1,0]=4 1655 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [0,0,0,1,0,1|2,0,0]=4 1656 B8R1.34 CC(C)SC1COC1 62a_100000210206_100009818527 [0,0,0,1,0,1|1,0,0]=3 1657 B8R1.34 CN(C)CC1COC1 2230a_100102631434_100010264016 [0,0,0,1,0,1|2,0,0]=4 1658 B8R1.34 CN(C)CC1COC1 269982a_100102631434_100010264016 [0,0,0,1,0,1|2,0,0]=4 1659 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,0,0,1,0,1|2,0,0]=4 1660 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,1|2,0,0]=4 1661 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,0,0,1,0,1|1,0,0]=3 1662 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,0,0,1,0,1|1,0,0]=3 1663 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,0,0,1,0,1|2,0,0]=4 1664 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,0,0,1,0,1|2,0,0]=4 1665 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,0,0,1,0,1|1,0,0]=3 1666 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,1|1,0,1]=4 1667 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,1|1,0,1]=4 1668 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,1|1,0,1]=4 1669 B8R1.42 CC(C)NC1(CC1)C 2230a_100000757604_100000210206 [0,0,0,1,0,1|2,0,0]=4 1670 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,0,0,1,0,1|2,0,0]=4 1671 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [0,0,0,1,0,1|2,0,0]=4 1672 B8R1.62 CC1(CN(C1)[13CH3])CO 2230a_100015203900_200025704644 [0,0,0,1,0,1|2,0,0]=4 1673 B8R1.62 CC1(CN(C1)[13CH3])CO 269982a_100015203900_200025704644 [0,0,0,1,0,1|2,0,0]=4 1674 B8R1.62 CN1CC(C1)(C)CO 2230a_100015203900_200000210301 [0,0,0,1,0,1|2,0,0]=4 1675 B8R1.62 CN1CC(C1)(C)CO 269982a_100015203900_200000210301 [0,0,0,1,0,1|2,0,0]=4 1676 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 1677 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 1678 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 1679 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 1680 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 1681 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 1682 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [0,1,0,1,0,0|2,0,0]=4 1683 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [0,1,0,1,0,0|2,0,0]=4 1684 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [0,1,0,1,0,0|2,0,0]=4 1685 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [0,1,0,1,0,0|2,0,0]=4 1686 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [0,1,0,1,0,0|2,0,0]=4 1687 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [0,1,0,1,0,0|2,0,0]=4 1688 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [0,1,0,1,0,0|2,0,0]=4 1689 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [0,1,0,1,0,0|2,0,0]=4 1690 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [0,1,0,1,0,0|2,0,0]=4 1691 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 1692 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 1693 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1694 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1695 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1696 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1697 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1698 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1699 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,1,0,1,0,0|2,0,0]=4 1700 B8R1.19 CC1(COCN1[13CH3])C 2230a_100000043020_200025704644 [0,1,0,1,0,0|2,0,0]=4 1701 B8R1.19 CC1(COCN1[13CH3])C 269982a_100000043020_200025704644 [0,1,0,1,0,0|2,0,0]=4 1702 B8R1.19 CN1COCC1(C)C 2230a_100000043020_200000210301 [0,1,0,1,0,0|2,0,0]=4 1703 B8R1.19 CN1COCC1(C)C 269982a_100000043020_200000210301 [0,1,0,1,0,0|2,0,0]=4 1704 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,1,0,1,0,0|2,0,0]=4 1705 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,1,0,1,0,0|1,0,0]=3 1706 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,1,0,1,0,0|1,0,0]=3 1707 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [0,1,0,1,0,0|1,0,0]=3 1708 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [0,1,0,1,0,0|1,0,0]=3 1709 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,1,0,1,0,0|1,0,0]=3 1710 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,1,0,1,0,0|1,0,0]=3 1711 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [0,1,0,1,0,0|1,0,0]=3 1712 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [0,1,0,1,0,0|1,0,0]=3 1713 B8R1.37 CC(NCF)C1CC1 34a_100000700016_100015361967 [0,1,0,1,0,0|2,0,0]=4 1714 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 1715 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 1716 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,1,0,1,0,0|2,0,0]=4 1717 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,1,0,1,0,0|2,0,0]=4 1718 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,1,0,1,0,0|2,0,0]=4 1719 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|2,0,0]=4 1720 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|2,0,0]=4 1721 B8R1.37 CN(CCO)C1CC1 2230a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 1722 B8R1.37 CN(CCO)C1CC1 2230a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 1723 B8R1.37 CN(CCO)C1CC1 269982a_100000210263_100000211595 [0,1,0,1,0,0|2,0,0]=4 1724 B8R1.37 CN(CCO)C1CC1 269982a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 1725 B8R1.37 CN(CCO)C1CC1 269982a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 1726 B8R1.37 CN(CCO)C1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 1727 B8R1.37 CNCC(O)C1CC1 2230a_100000751198_200000210301 [0,1,0,1,0,0|2,0,0]=4 1728 B8R1.37 CNCC(O)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|2,0,0]=4 1729 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|1,0,1]=4 1730 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|1,0,1]=4 1731 B8R1.37 COCN(C)C1CC1 2230a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 1732 B8R1.37 COCN(C)C1CC1 269982a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 1733 B8R1.37 COC[C@H](N)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|0,0,0]=2 1734 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|1,0,1]=4 1735 B8R1.37 [13CH3]N(CCO)C1CC1 2230a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 1736 B8R1.37 [13CH3]N(CCO)C1CC1 269982a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 1737 B8R1.37 [13CH3]N(CCO)C1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 1738 B8R1.37 [13CH3]NCC(O)C1CC1 2230a_100000751198_200025704644 [0,1,0,1,0,0|2,0,0]=4 1739 B8R1.37 [13CH3]NCC(O)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|2,0,0]=4 1740 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|1,0,1]=4 1741 B8R1.37 [13CH3]OC[C@H](N)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|0,0,0]=2 1742 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,1,0,1,0,0|2,0,0]=4 1743 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,1,0,1,0,0|2,0,0]=4 1744 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,1,0,1,0,0|2,0,0]=4 1745 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|1,0,1]=4 1746 B8R1.54 CC(C1CO1)N(C)C 270004a_100102631434_100000031964 [0,1,0,1,0,0|2,0,0]=4 1747 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 1748 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 1749 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1750 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1751 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1752 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|1,0,0]=3 1753 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|2,0,0]=4 1754 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,1,0,0|1,0,0]=3 1755 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,1,0,0|1,0,0]=3 1756 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,1,0,0|1,0,0]=3 1757 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 1758 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 1759 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,1,0,0|1,0,0]=3 1760 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 1761 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|1,0,0]=3 1762 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 1763 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,1,0,0|0,0,0]=2 1764 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,0,0]=3 1765 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,0,0]=3 1766 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|2,0,0]=4 1767 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 1768 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 1769 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1770 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1771 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1772 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,1,0,0|1,0,0]=3 1773 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 1774 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|1,0,0]=3 1775 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,1,0,0|0,0,0]=2 1776 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,0,0]=3 1777 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,0,0]=3 1778 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 1779 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|2,0,0]=4 1780 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 1781 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 1782 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 1783 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 1784 B8R1.38 CCN(C)C1COC1 2230a_100102693430_100000210202 [0,1,0,1,0,0|2,0,0]=4 1785 B8R1.38 CCN(C)C1COC1 2230a_200015199590_200000210301 [0,1,0,1,0,0|2,0,0]=4 1786 B8R1.38 CCN(C)C1COC1 269982a_100000225621_100000687716 [0,1,0,1,0,0|2,0,0]=4 1787 B8R1.38 CCN(C)C1COC1 269982a_100102693430_100000204670 [0,1,0,1,0,0|2,0,0]=4 1788 B8R1.38 CCN(C)C1COC1 269982a_200015199590_200000210301 [0,1,0,1,0,0|2,0,0]=4 1789 B8R1.38 CCN([13CH3])C1COC1 2230a_200015199590_200025704644 [0,1,0,1,0,0|2,0,0]=4 1790 B8R1.38 CCN([13CH3])C1COC1 269982a_200015199590_200025704644 [0,1,0,1,0,0|2,0,0]=4 1791 B8R1.38 CN(CF)C1COC1 269982a_100102693430_100015361967 [0,1,0,1,0,0|2,0,0]=4 1792 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 1793 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,1,0,1,0,0|2,0,0]=4 1794 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 1795 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 1797 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|2,0,0]=4 1798 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,1]=4 1799 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|1,0,1]=4 1800 B8R1.39 CNC(C)C1(CC1)C 269862a_106832991636_100000184723 [0,1,0,1,0,0|2,0,0]=4 1801 B8R1.39 CNC(C)C1(CC1)F 269862a_106832991636_100000052362 [0,1,0,1,0,0|2,0,0]=4 1802 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,1,0,1,0,0|1,0,0]=3 1803 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,1,0,1,0,0|1,0,0]=3 1804 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,1,0,1,0,0|1,0,0]=3 1805 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,1,0,1,0,0|1,0,0]=3 1806 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,1,0,1,0,0|1,0,0]=3 1807 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,1,0,1,0,0|2,0,0]=4 1808 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,1,0,1,0,0|2,0,0]=4 1809 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1810 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1811 B8R1.33 CN[C@@H](CO)C1CC1 2230a_100020623730_200000210301 [0,1,0,1,0,0|0,0,0]=2 1812 B8R1.33 CN[C@@H](CO)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|0,0,0]=2 1813 B8R1.33 COC(CN)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 2230a_100020623730_200025704644 [0,1,0,1,0,0|0,0,0]=2 1815 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|0,0,0]=2 1816 B8R1.33 [13CH3]OC(CN)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|2,0,0]=4 1817 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,0,0,0,0,2|1,0,1]=4 1818 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,0,0,0,0,2|1,0,1]=4 1819 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,0,0,0,0,2|2,0,0]=4 1820 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,0,0,0,0,2|1,0,1]=4 1821 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,0,0,0,0,2|1,0,1]=4 1822 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,0,0,0,0,2|1,0,1]=4 1823 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,0,0,0,0,2|1,0,0]=3 1824 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,0,0,0,0,2|1,0,0]=3 1825 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,0,0,0,0,2|2,0,0]=4 1826 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,0,0,0,0,2|1,0,0]=3 1827 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,0,0,0,0,2|1,0,0]=3 1828 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,0,0,0,0,2|2,0,0]=4 1829 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,0,0,0,0,2|2,0,0]=4 1830 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,0,0,0,0,2|2,0,0]=4 1831 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,0,0,0,0,2|1,0,0]=3 1832 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,0,0,0,0,2|1,0,0]=3 1833 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,0,0,0,0,2|1,0,0]=3 1834 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,0,0,0,0,2|1,0,0]=3 1835 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,0,0,0,0,2|1,0,0]=3 1836 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,0,0,0,0,2|1,0,0]=3 1837 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,0,0,0,0,2|1,0,0]=3 1838 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,0,0,0,0,2|1,0,0]=3 1839 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,0,0,0,0,2|1,0,0]=3 1840 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,0,0,0,0,2|2,0,0]=4 1841 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,0,0,0,0,2|2,0,0]=4 1842 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,0,0,0,0,2|1,0,0]=3 1843 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,0,0,0,0,2|1,0,0]=3 1844 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,0,0,0,0,2|1,0,0]=3 1845 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,0,0,0,0,2|1,0,1]=4 1846 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,0,0,0,0,2|2,0,0]=4 1847 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,0,0,0,0,2|1,0,0]=3 1848 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,0,0,0,0,2|1,0,0]=3 1849 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,0,0,0,0,2|2,0,0]=4 1850 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,0,0,0,0,2|1,0,0]=3 1851 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,0,0,0,0,2|2,0,0]=4 1852 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,0,0,0,0,2|1,0,0]=3 1853 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,0,0,0,0,2|1,0,0]=3 1854 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,0,0,0,0,2|1,0,0]=3 1855 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,0,0,0,0,2|1,0,0]=3 1856 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,0,0,0,0,2|2,0,0]=4 1857 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,0,0,0,0,2|2,0,0]=4 1858 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,0,0,0,0,2|1,0,0]=3 1859 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,0,0,0,0,2|1,0,0]=3 1860 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,0,0,0,0,2|2,0,0]=4 1861 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,0,0,0,0,2|1,0,0]=3 1862 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,0,0,0,0,2|2,0,0]=4 1863 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,0,0,0,0,2|2,0,0]=4 1864 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,0,0,0,0,2|2,0,0]=4 1865 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,0,0,0,0,2|2,0,0]=4 1866 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,0,0,0,0,2|2,0,0]=4 1867 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,0,0,0,0,2|2,0,0]=4 1868 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,0,0,0,0,2|2,0,0]=4 1869 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,0,0,0,0,2|2,0,0]=4 1870 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,0,0,0,0,2|2,0,0]=4 1871 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,0,0,0,0,2|2,0,0]=4 1872 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,0,0,0,0,2|2,0,0]=4 1873 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,0,0,0,0,2|2,0,0]=4 1874 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,0,0,0,0,2|2,0,0]=4 1875 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,0,0,0,2|2,0,0]=4 1876 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,0,0,0,0,2|2,0,0]=4 1877 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,0,0,0,0,2|2,0,0]=4 1878 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,0,0,0,0,2|2,0,0]=4 1879 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,0,0,0,0,2|2,0,0]=4 1880 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,0,0,0,0,2|2,0,0]=4 1881 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,0,0,0,0,2|2,0,0]=4 1882 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,0,0,0,2|2,0,0]=4 1883 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,0,0,0,2|2,0,0]=4 1884 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,0,0,0,0,2|2,0,0]=4 1885 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,0,0,0,0,2|2,0,0]=4 1886 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,0,0,0,0,2|2,0,0]=4 1887 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,0,0,0,0,2|2,0,0]=4 1888 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,0,0,0,0,2|2,0,0]=4 1889 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,0,0,0,0,2|2,0,0]=4 1890 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,0,0,0,0,2|2,0,0]=4 1891 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,0,0,0,0,2|2,0,0]=4 1892 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,0,0,0,0,2|2,0,0]=4 1893 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,0,0,0,0,2|2,0,0]=4 1894 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,0,0,0,2|2,0,0]=4 1895 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,0,0,0,2|2,0,0]=4 1896 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,0,0,0,0,2|2,0,0]=4 1897 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,0,0,0,0,2|2,0,0]=4 1898 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,0,0,0,0,2|2,0,0]=4 1899 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,0,0,0,0,2|2,0,0]=4 1900 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,0,0,0,0,2|2,0,0]=4