0 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|2,0,0]=2 66 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|1,0,1]=2 73 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|3,0,0]=3 75 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|3,0,0]=3 76 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,0,0,0,0,0|4,0,0]=4 77 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|0,0,3]=4 78 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|0,0,3]=4 79 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|0,0,3]=4 80 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|1,0,1]=3 84 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|0,0,1]=2 85 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|0,1,1]=3 86 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|0,1,1]=3 87 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|1,1,1]=4 96 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|0,0,1]=2 130 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|0,0,1]=2 131 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|1,0,1]=3 136 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|0,1,1]=3 141 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|0,1,1]=3 142 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|1,1,1]=4 143 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|1,1,1]=4 144 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|1,1,1]=4 145 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|1,1,1]=4 146 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|1,1,1]=4 147 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|1,1,1]=4 148 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|1,1,1]=4 151 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|1,1,1]=4 152 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|1,0,0]=2 163 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 167 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 169 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 177 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,1,1]=4 178 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,1,1]=4 179 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,1,1]=4 180 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,1,1]=4 181 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,0]=3 193 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|3,0,0]=4 203 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|0,0,2]=3 204 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|0,0,2]=3 205 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|0,0,0]=1 206 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|0,0,0]=1 207 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|1,0,0]=2 208 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 210 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 211 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 212 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|1,0,0]=2 213 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|1,0,0]=2 214 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|1,0,0]=2 215 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|0,0,0]=1 216 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 217 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 218 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|2,0,0]=3 220 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|1,0,0]=2 222 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|1,0,0]=2 223 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|1,0,1]=3 225 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|1,0,1]=3 226 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|1,0,2]=4 236 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|1,0,1]=3 237 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|1,1,1]=4 247 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|1,1,1]=4 248 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,0,0,0,0|1,0,1]=3 251 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|1,0,1]=3 252 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|1,0,1]=3 253 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|1,0,0]=2 254 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|1,0,0]=2 256 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|0,1,0]=2 257 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|0,1,0]=2 258 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|2,0,0]=3 272 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 282 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 283 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 284 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 285 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 299 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|3,0,0]=4 306 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,0]=3 307 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|2,0,0]=3 308 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|1,0,1]=3 311 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|1,1,0]=3 322 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|1,1,0]=3 323 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|1,0,0]=2 327 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,0,0,0,0|1,0,2]=4 332 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|1,0,0]=2 334 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|3,0,0]=4 337 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,0]=3 338 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|0,0,0]=1 343 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|0,0,0]=1 344 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|1,0,0]=2 347 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|1,0,0]=2 348 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|1,0,0]=2 349 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|1,0,1]=3 354 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|1,1,1]=4 355 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|1,1,1]=4 356 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|0,1,0]=2 357 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|0,1,0]=2 358 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|0,1,0]=2 359 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|1,1,0]=3 360 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|1,1,0]=3 361 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|1,1,0]=3 362 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|1,1,0]=3 363 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|1,1,0]=3 364 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|1,1,0]=3 365 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,1,0,0,0,0|2,1,0]=4 366 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,0]=3 368 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,1,0,0,0,0|1,0,2]=4 375 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,1]=3 377 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,1,0,0,0,0|1,0,2]=4 378 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,1]=3 381 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,1]=3 383 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,1]=3 384 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,1]=3 387 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,1]=3 390 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,1]=3 392 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 393 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 394 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 395 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|1,0,2]=4 396 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|1,0,1]=3 404 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|1,0,1]=3 405 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 407 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,0]=2 408 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,0]=2 409 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|1,0,0]=2 410 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,0,0]=2 411 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,0,0]=2 412 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,0,0]=2 413 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,0,0]=2 414 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,0,0]=2 415 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|2,0,0]=3 417 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 419 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 420 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 421 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,0]=2 424 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 425 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 426 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 427 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,0,1]=3 430 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,0,1]=3 431 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 432 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 434 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|3,0,0]=4 443 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 444 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 445 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,0,1]=3 459 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,0,1]=3 460 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,0,1]=3 461 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,0,1]=3 462 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|1,0,1]=3 463 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|1,0,1]=3 464 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|1,0,1]=3 465 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|1,0,1]=3 466 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|1,0,0]=2 467 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|1,0,0]=2 468 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|1,0,0]=2 469 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|1,0,0]=2 470 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|1,0,0]=2 471 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|1,0,0]=2 472 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|1,0,0]=2 473 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|1,0,0]=2 474 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|1,0,0]=2 475 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|1,0,0]=2 476 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|1,0,0]=2 477 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|1,0,0]=2 478 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|1,0,0]=2 479 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|1,0,0]=2 480 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|1,0,0]=2 481 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|1,0,0]=2 482 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 483 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|2,0,0]=3 488 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|2,0,0]=3 490 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|1,0,0]=2 492 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|1,0,0]=2 493 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|1,0,0]=2 494 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|1,0,0]=2 495 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|0,0,0]=1 496 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|0,0,0]=1 497 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|0,0,0]=1 498 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|0,0,0]=1 499 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|0,0,0]=1 500 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|0,0,0]=1 501 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|0,0,0]=1 502 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|0,0,0]=1 503 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|0,0,0]=1 504 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|0,0,0]=1 505 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,1,0,0,0,0|2,0,1]=4 510 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,0,0,0,0|1,0,1]=3 511 B7R0.13 CCS(=O)(=O)N(C)C 270084a_100102631434_100000211323 [0,1,0,0,0,0|3,0,0]=4 512 B7R0.13 CCS(=O)(=O)N(C)C 274078a_100102631434_100000211323 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.13 CCS(=O)(=O)N(C)C 40a_100102631434_100000053943 [0,1,0,0,0,0|3,0,0]=4 514 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.13 CNS(=O)(=O)C(C)C 270084a_100102657272_100000742656 [0,1,0,0,0,0|2,0,0]=3 516 B7R0.13 CNS(=O)(=O)C(C)C 274078a_100102657272_100000742656 [0,1,0,0,0,0|2,0,0]=3 517 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,0,0,0,0|1,0,1]=3 518 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,1,0,0,0,0|2,0,0]=3 519 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,1,0,0,0,0|2,0,0]=3 520 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,1,0,0,0,0|1,0,0]=2 522 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,1,0,0,0,0|1,0,0]=2 523 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|1,0,0]=2 524 B7R0.14 CCC(=O)C(F)(F)F 1458a_100000210414_200000243211 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.14 CCC(=O)C(F)(F)F 1458a_100015355933_100000210202 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,1,0,0,0,0|1,0,0]=2 533 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,1,0,0,0,0|1,0,0]=2 534 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,1,0,0,0,0|1,0,0]=2 535 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,1,0,0,0,0|1,0,0]=2 536 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,1,0,0,0,0|1,0,0]=2 537 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,1,0,0,0,0|1,0,0]=2 538 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,1,0,0,0,0|1,0,0]=2 539 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,1,0,0,0,0|1,0,0]=2 540 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,0,0,0,0|1,0,0]=2 541 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.14 CNC(=O)C(F)(F)F 11a_106832991635_100015355933 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.14 CNC(=O)C(F)(F)F 1626a_100102657272_100015355933 [0,1,0,0,0,0|3,0,0]=4 547 B7R0.14 CNC(=O)C(F)(F)F 240690a_100102657272_100015355933 [0,1,0,0,0,0|3,0,0]=4 548 B7R0.14 CNC(=O)C(F)(F)F 527a_100102657272_100000210220 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,1,0,0,0,0|2,0,1]=4 553 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,1,0,0,0,0|2,0,1]=4 554 B7R0.14 [2H]C([2H])([2H])C(=O)NC 11a_106832991635_200015216371 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.14 [2H]C([2H])([2H])C(=O)NC 1626a_100102657272_200015216371 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.14 [2H]C([2H])([2H])C(=O)NC 240690a_100102657272_200015216371 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.14 [2H]C([2H])([2H])C(=O)NC 527a_100102657272_200015216371 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,1,0,0,0,0|1,0,1]=3 560 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,1,0,0,0,0|1,0,1]=3 561 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,1,0,0,0,0|1,0,1]=3 562 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,1,0,0,0,0|1,0,1]=3 563 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,1,0,0,0,0|1,0,1]=3 564 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,1,0,0,0,0|1,0,1]=3 565 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,1,0,0,0,0|1,0,1]=3 566 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,1,0,0,0,0|1,0,1]=3 567 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,1,0,0,0,0|1,0,1]=3 568 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,0,0,0,0|1,0,2]=4 570 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|1,0,2]=4 571 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|1,0,1]=3 573 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|1,0,1]=3 574 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|1,0,1]=3 575 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|1,0,1]=3 576 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [0,1,0,0,0,0|3,0,0]=4 577 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [0,1,0,0,0,0|3,0,0]=4 578 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [0,1,0,0,0,0|3,0,0]=4 579 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [0,1,0,0,0,0|3,0,0]=4 581 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,0,0,0,0|1,0,2]=4 583 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|1,0,2]=4 584 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,1,0,0,0,0|1,0,1]=3 585 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,1,0,0,0,0|1,0,1]=3 586 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|1,0,1]=3 587 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|1,0,0]=2 590 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|2,0,0]=3 591 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|2,0,0]=3 592 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,0]=3 597 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|1,0,2]=4 603 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,0|1,0,0]=2 604 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,0|1,0,0]=2 605 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,0,0|1,0,0]=2 607 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,0,0|1,0,0]=2 608 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,0,0|1,0,0]=2 610 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|1,0,0]=2 611 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|1,0,0]=2 612 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|2,0,1]=4 615 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,1,0,0,0,0|3,0,0]=4 620 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 622 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 623 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|1,0,2]=4 625 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.16 CN(C)C(=O)C(F)F 11a_100102631434_100000210393 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.16 CN(C)C(=O)C(F)F 1626a_100102631434_100000210393 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.16 CN(C)C(=O)C(F)F 240690a_100102631434_100000210393 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.16 CN(C)C(=O)C(F)F 527a_100102631434_100000210393 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|2,0,0]=3 639 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 640 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 641 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 642 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 643 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 644 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 645 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 646 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 647 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 648 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 649 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|3,0,0]=4 650 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|3,0,0]=4 651 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,0,0,1,0,0|3,0,0]=4 652 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 653 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 654 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|1,0,1]=3 655 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|1,0,1]=3 656 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|1,0,0]=2 657 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,0]=3 658 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|3,0,0]=4 659 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 660 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|3,0,0]=4 661 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|3,0,0]=4 662 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 663 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 664 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 665 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|1,0,0]=2 666 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 667 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 668 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 669 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,0]=3 670 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 671 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 672 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 673 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 674 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,1]=4 675 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 676 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|1,0,1]=3 677 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|1,0,1]=3 678 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|2,0,0]=3 679 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|3,0,0]=4 680 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,0,0,0,0,1|1,0,1]=3 681 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,0,0,0,0,1|2,0,1]=4 682 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,1|1,0,2]=4 683 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,0,0,0,0,1|1,0,1]=3 684 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,0,0,0,0,1|2,0,1]=4 685 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,0,0,0,0,1|1,0,1]=3 686 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,0,0,0,0,1|1,0,1]=3 687 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,0,0,0,0,1|2,0,1]=4 688 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,1|1,0,2]=4 689 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,0,0,0,0,1|2,0,0]=3 690 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,0,0,0,1|2,0,0]=3 691 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,0,0,0,1|2,0,1]=4 692 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,0,0,0,1|1,0,1]=3 693 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,0,0,0,1|1,0,1]=3 694 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,0,0,0,1|1,1,1]=4 695 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,0,0,0,1|1,1,1]=4 696 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,0,0,0,1|2,0,0]=3 697 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,0,0,0,1|2,0,0]=3 698 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,0,1|3,0,0]=4 699 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,0,1|1,0,1]=3 700 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,0,1|2,0,1]=4 701 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,0,1|2,0,1]=4 702 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,1]=4 703 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,0,1|1,0,0]=2 704 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,0,1|1,0,0]=2 705 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,1|2,0,0]=3 706 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,0,0,0,0,1|3,0,0]=4 707 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,0,0,0,1|2,0,0]=3 708 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,0,0,0,1|2,0,0]=3 709 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,1|2,0,0]=3 710 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,0,0,0,1|2,0,0]=3 711 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,0,0,0,1|1,0,0]=2 712 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,0,0,0,1|1,0,0]=2 713 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,0,0,0,1|1,0,0]=2 714 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,0,0,0,1|1,0,0]=2 715 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|2,0,1]=4 716 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|2,0,1]=4 717 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|2,0,1]=4 718 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|2,0,1]=4 719 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|2,0,1]=4 720 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|2,0,1]=4 721 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|2,0,1]=4 722 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,0,0,0,1|3,0,0]=4 723 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,0,0,0,1|3,0,0]=4 724 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,0,0,0,1|3,0,0]=4 725 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,0,0,0,1|3,0,0]=4 726 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,0,0,0,1|3,0,0]=4 727 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,0,0,0,1|3,0,0]=4 728 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,0,0,0,1|3,0,0]=4 729 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,0,0,0,1|3,0,0]=4 730 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,0,0,0,0,1|3,0,0]=4 731 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,0,1|1,0,1]=3 732 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,0,1|1,0,1]=3 733 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,0,1|1,0,1]=3 734 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,0,1|2,0,1]=4 735 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,0,1|2,0,1]=4 736 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,0,1|2,0,1]=4 737 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,0,1|2,0,1]=4 738 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,0,1|2,0,1]=4 739 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|2,0,1]=4 740 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,0,0,0,1|1,0,0]=2 741 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,0,0,0,1|1,0,0]=2 742 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,0,0,0,1|1,0,0]=2 743 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,0,0,0,1|1,0,0]=2 744 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,0,0,0,1|2,0,0]=3 745 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,0,0,0,1|2,0,0]=3 746 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,0,0,0,1|2,0,0]=3 747 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,0,0,0,1|2,0,0]=3 748 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,0,0,0,1|2,0,0]=3 749 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,0,0,0,1|2,0,0]=3 750 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,0,0,0,1|2,0,0]=3 751 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,0,1|2,0,0]=3 752 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,0,0,0,1|2,0,0]=3 753 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,0,0,0,1|2,0,0]=3 754 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,0,0,0,1|2,0,0]=3 755 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,0,0,0,1|2,0,0]=3 756 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,0,0,0,1|1,0,0]=2 757 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,0,0,0,1|1,0,0]=2 758 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,0,0,0,1|1,0,0]=2 759 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,0,0,0,1|1,0,0]=2 760 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,0,0,0,1|1,0,0]=2 761 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,0,0,0,1|2,0,1]=4 762 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,0,0,0,1|2,0,1]=4 763 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,0,0,0,1|2,0,1]=4 764 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,0,0,0,1|2,0,1]=4 765 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|1,0,1]=3 766 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|1,0,1]=3 767 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|1,0,1]=3 768 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,0,0,0,0,1|1,0,0]=2 769 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,0,0,0,0,1|1,0,0]=2 770 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,0,0,0,0,1|1,0,0]=2 771 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,0,0,0,0,1|1,0,0]=2 772 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,1|1,0,2]=4 773 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,0,0,0,1|1,0,1]=3 774 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,0,0,0,1|1,0,1]=3 775 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,0,0,0,1|1,0,1]=3 776 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,0,0,0,0,1|1,0,1]=3 777 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,0,0,0,0,1|1,0,1]=3 778 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,0,0,0,1|1,1,1]=4 779 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,0,0,0,1|1,1,1]=4 780 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,0,0,0,1|3,0,0]=4 781 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,0,0,0,0,1|3,0,0]=4 782 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 783 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 784 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 785 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 786 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 787 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 788 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 789 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 790 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|0,0,0]=2 791 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|0,1,0]=3 792 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|0,1,0]=3 793 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 794 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 795 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 796 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 797 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 798 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 799 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 800 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 801 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 802 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 803 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 804 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 805 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 806 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 807 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 808 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,0]=3 809 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 810 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 811 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|0,0,0]=2 812 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|0,0,0]=2 813 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|0,1,0]=3 814 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|0,1,0]=3 815 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 816 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 817 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 818 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 819 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,0,1]=3 820 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,0,1]=3 821 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,0,1]=3 822 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,1,1]=4 823 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,1,1]=4 824 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,1,1]=4 825 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,1,1]=4 826 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|2,0,0]=4 827 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|2,0,0]=4 828 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|2,0,0]=4 829 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,0,1]=4 830 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 831 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,0,1]=4 832 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,0,1]=4 833 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 834 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,1]=4 835 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,1]=4 836 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,1]=4 837 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,1]=4 838 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,1]=4 839 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 840 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,0,1]=4 841 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|1,0,0]=3 842 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|1,0,0]=3 843 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 844 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 845 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 846 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 847 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [1,1,0,0,0,0|1,0,1]=4 848 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|0,0,1]=3 850 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,1]=4 851 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|1,0,1]=4 852 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|1,0,1]=4 855 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|0,0,1]=3 858 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|0,1,1]=4 859 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|0,1,1]=4 860 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|0,1,1]=4 861 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|0,1,1]=4 862 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 868 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 871 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 872 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 873 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|2,0,0]=4 881 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|2,0,0]=4 882 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|2,0,0]=4 883 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 884 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|2,0,0]=4 885 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|2,0,0]=4 886 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 887 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 888 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 889 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|2,0,0]=4 890 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|2,0,0]=4 891 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|2,0,0]=4 892 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 893 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|2,0,0]=4 894 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|2,0,0]=4 895 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|2,0,0]=4 896 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|1,0,1]=4 898 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|1,0,1]=4 899 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|1,0,1]=4 900 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|0,0,1]=3 901 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|0,0,1]=3 902 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|0,0,1]=3 903 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|0,1,1]=4 904 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|0,1,1]=4 905 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|0,1,1]=4 906 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|0,1,1]=4 907 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|0,0,1]=3 908 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|0,0,1]=3 909 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|0,0,1]=3 910 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|0,0,1]=3 911 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|0,1,1]=4 912 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,1]=4 913 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 914 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|1,0,1]=4 915 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 916 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|1,0,1]=4 917 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|0,0,1]=3 918 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|0,0,1]=3 919 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|0,0,1]=3 920 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|0,0,1]=3 921 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|0,0,1]=3 922 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|0,0,1]=3 923 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|0,0,1]=3 924 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|0,0,1]=3 925 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|0,0,1]=3 926 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,1,0,0,0,0|1,0,1]=4 927 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|1,0,1]=4 928 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|0,0,1]=3 929 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|0,0,1]=3 930 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|0,0,1]=3 931 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|0,0,1]=3 932 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|1,0,1]=4 933 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|1,0,1]=4 934 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,1,0,0,0,0|1,0,1]=4 935 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|1,0,1]=4 936 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|0,1,1]=4 937 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|0,1,1]=4 938 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|0,1,1]=4 939 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|0,1,1]=4 940 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,1,0,0,0,0|1,0,1]=4 941 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,1,0,0,0,0|1,0,1]=4 942 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 943 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 944 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,1]=4 945 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,1]=4 946 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 947 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 948 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|1,0,1]=4 952 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|1,0,1]=4 953 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|1,0,1]=4 954 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|1,0,1]=4 955 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|1,0,1]=4 956 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|1,0,1]=4 957 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 959 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 960 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,1,0,0,0,0|2,0,0]=4 961 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,1,0,0,0,0|2,0,0]=4 962 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|2,0,0]=4 963 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|0,0,1]=3 965 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|0,1,1]=4 966 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|0,1,1]=4 967 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 970 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 971 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,1,1]=4 972 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,1,1]=4 973 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,0,1]=4 974 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|0,0,1]=3 975 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|0,1,1]=4 976 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|0,1,1]=4 977 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 978 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|2,0,0]=4 979 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 980 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|2,0,0]=4 981 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|2,0,0]=4 982 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|2,0,0]=4 983 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 986 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 987 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|2,0,0]=4 988 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|0,1,1]=4 989 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|0,1,1]=4 990 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 991 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 992 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|2,0,0]=4 993 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 994 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|2,0,0]=4 996 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,1,0,0,0,0|2,0,0]=4 997 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 998 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1000 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1001 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,1]=4 1003 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1006 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1007 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,1]=4 1008 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|0,0,1]=3 1009 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|0,0,1]=3 1010 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1011 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,1]=4 1012 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|1,0,1]=4 1013 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,1]=4 1014 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1015 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,1]=4 1016 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|0,1,1]=4 1017 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|0,1,1]=4 1018 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1019 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|1,0,1]=4 1020 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|1,0,1]=4 1021 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1022 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 1024 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 1025 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 1026 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|1,0,1]=4 1027 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|1,0,1]=4 1028 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,1]=4 1029 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,1]=4 1030 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|0,0,1]=3 1031 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|0,0,1]=3 1032 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1033 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 1034 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,0,1]=3 1035 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 1036 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,1]=4 1037 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1038 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|1,0,1]=4 1039 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1040 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|1,0,1]=4 1041 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1042 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1043 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1044 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|0,0,1]=3 1045 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|0,0,1]=3 1046 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|0,0,1]=3 1047 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|0,0,1]=3 1048 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|0,1,1]=4 1049 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|0,1,1]=4 1050 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,1,1]=4 1051 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,1,1]=4 1052 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|0,1,1]=4 1053 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|0,1,1]=4 1054 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|0,1,1]=4 1055 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|0,1,1]=4 1056 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|0,1,1]=4 1057 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|0,1,1]=4 1058 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|0,1,1]=4 1059 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|1,0,1]=4 1060 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1061 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|0,1,1]=4 1064 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|0,1,1]=4 1065 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|1,0,1]=4 1066 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|0,0,1]=3 1067 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|0,1,1]=4 1068 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|0,1,1]=4 1069 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|1,0,1]=4 1070 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|0,1,1]=4 1071 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|0,1,1]=4 1072 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,1,0,0,0,0|1,0,1]=4 1073 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|2,0,0]=4 1074 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1075 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|2,0,0]=4 1076 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1077 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|1,0,1]=4 1080 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|1,0,1]=4 1081 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|1,0,1]=4 1082 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|1,0,1]=4 1083 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|1,0,1]=4 1084 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|1,0,1]=4 1085 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|1,0,1]=4 1086 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|1,0,1]=4 1087 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|0,0,1]=3 1088 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|0,0,1]=3 1089 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|0,0,1]=3 1090 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|0,0,1]=3 1091 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,1,0,0,0,0|1,0,1]=4 1092 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|0,1,1]=4 1093 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|0,1,1]=4 1094 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|0,1,1]=4 1095 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|0,1,1]=4 1096 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|0,1,1]=4 1097 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|0,1,1]=4 1098 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1099 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1100 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1101 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1102 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 1103 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1105 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1106 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1107 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1108 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1109 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1110 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1111 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|1,0,1]=4 1112 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|1,0,1]=4 1113 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|0,0,0]=2 1114 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|0,0,0]=2 1115 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|0,0,0]=2 1116 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [1,1,0,0,0,0|2,0,0]=4 1117 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [1,1,0,0,0,0|2,0,0]=4 1118 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|0,0,0]=2 1119 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|0,0,0]=2 1120 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|0,0,0]=2 1121 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [1,1,0,0,0,0|2,0,0]=4 1122 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [1,1,0,0,0,0|2,0,0]=4 1123 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [1,1,0,0,0,0|2,0,0]=4 1124 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [1,1,0,0,0,0|2,0,0]=4 1125 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [1,1,0,0,0,0|2,0,0]=4 1126 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,1,0,0,0,1|2,0,0]=4 1127 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,1,0,0,0,1|1,0,1]=4 1128 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,1,0,0,0,1|1,0,1]=4 1129 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,0,0,0,1|2,0,0]=4 1130 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,1|2,0,0]=4 1131 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,1|2,0,0]=4 1132 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,1,0,0,0,1|2,0,0]=4 1133 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,0,0,0,1|2,0,0]=4 1134 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,1|1,0,0]=3 1135 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,1,0,0,0,1|2,0,0]=4 1136 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,1,0,0,0,1|2,0,0]=4 1137 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,1,0,0,0,1|1,0,0]=3 1138 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,1,0,0,0,1|1,0,0]=3 1139 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,1,0,0,0,1|1,0,0]=3 1140 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,1,0,0,0,1|1,0,0]=3 1141 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,1,0,0,0,1|2,0,0]=4 1142 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,0,0,0,1|1,0,0]=3 1143 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,0,0,0,1|1,0,0]=3 1144 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102631434_100011218921 [0,1,0,0,0,1|2,0,0]=4 1145 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102657272_100011218876 [0,1,0,0,0,1|2,0,0]=4 1146 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102631434_100011218921 [0,1,0,0,0,1|2,0,0]=4 1147 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102657272_100011218876 [0,1,0,0,0,1|2,0,0]=4 1148 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102631434_100011218921 [0,1,0,0,0,1|2,0,0]=4 1149 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102657272_100011218876 [0,1,0,0,0,1|2,0,0]=4 1150 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,0,0,0,1|1,0,0]=3 1151 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,0,0,0,1|1,0,0]=3 1152 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,0,0,0,1|1,0,0]=3 1153 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,0,0,0,1|1,0,0]=3 1154 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,1,0,0,0,1|2,0,0]=4 1155 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,1,0,0,0,1|2,0,0]=4 1156 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,1,0,0,0,1|2,0,0]=4 1157 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,1,0,0,0,1|2,0,0]=4 1158 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,1,0,0,0,1|1,0,0]=3 1159 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,1,0,0,0,1|1,0,0]=3 1160 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,1,0,0,0,1|2,0,0]=4 1161 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,1,0,0,0,1|2,0,0]=4 1162 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,1,0,0,0,1|1,0,0]=3 1163 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,0,0,0,1|1,0,0]=3 1164 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,0,0,0,1|1,0,0]=3 1165 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,0,0,0,1|1,0,0]=3 1166 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,0,0,0,1|1,0,0]=3 1167 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,1|1,0,1]=4 1168 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,1|1,0,1]=4 1169 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,1|1,0,1]=4 1170 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,1|1,0,0]=3 1171 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,1|1,0,0]=3 1172 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,1|1,0,0]=3 1173 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,1|1,0,0]=3 1174 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,1|1,0,0]=3 1175 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,1|1,0,0]=3 1176 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,1,0,0,0,1|1,0,1]=4 1177 B8R0.2 COC(C)N(C)C(C)C 269982a_200000211004_100009879195 [0,1,0,0,0,1|1,0,1]=4 1178 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,1,0,0,0,1|1,0,1]=4 1179 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,1,0,0,0,1|1,0,1]=4 1180 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,1,0,0,0,1|1,0,1]=4 1181 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,1,0,0,0,1|1,0,1]=4 1182 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,1|0,0,2]=4 1183 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,1|1,0,1]=4 1184 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,1|1,0,1]=4 1185 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,0,0,0,1|1,0,1]=4 1186 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,0,0,0,1|1,0,1]=4 1187 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,0,0,0,1|1,0,1]=4 1188 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,0,0,0,1|1,0,1]=4 1189 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,0,0,0,1|1,0,1]=4 1190 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,0,0,0,1|1,0,1]=4 1191 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,0,0,0,1|1,0,0]=3 1192 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,0,0,0,1|2,0,0]=4 1193 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,1|1,0,1]=4 1194 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,1|1,0,1]=4 1195 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,0,0,0,1|1,0,1]=4 1196 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,0,0,0,1|1,0,1]=4 1197 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,0,0,0,1|1,0,1]=4 1198 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,1,0,0,0,1|1,0,1]=4 1199 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,1,0,0,0,1|1,0,1]=4 1200 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,1,0,0,0,1|1,0,0]=3 1201 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,0,0,0,1|1,0,0]=3 1202 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,0,0,0,1|1,0,0]=3 1203 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,1|1,0,1]=4 1204 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,1|1,0,1]=4 1205 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,1|1,0,1]=4 1206 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,1,0,0,0,1|1,0,1]=4 1207 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,1,0,0,0,1|1,0,1]=4 1208 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,1,0,0,0,1|1,0,1]=4 1209 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,1,0,0,0,1|1,0,1]=4 1210 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,1,0,0,0,1|1,0,1]=4 1211 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,1,0,0,0,1|1,0,1]=4 1212 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,1,0,0,0,1|1,0,1]=4 1213 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,1,0,0,0,1|1,0,1]=4 1214 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,0,0,0,1|1,0,0]=3 1215 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,0,0,0,1|1,0,0]=3 1216 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,0,0,0,1|0,1,0]=3 1217 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,0,0,0,1|0,1,0]=3 1218 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,1|0,1,0]=3 1219 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,1|0,1,0]=3 1220 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,1|2,0,0]=4 1221 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,1|1,0,0]=3 1222 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,1|2,0,0]=4 1223 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,0,0,0,1|1,0,0]=3 1224 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,0,0,0,1|1,0,0]=3 1225 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,0,0,0,1|1,0,0]=3 1226 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,1|1,0,1]=4 1227 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,1|1,0,0]=3 1228 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,1|1,0,0]=3 1229 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,1|2,0,0]=4 1230 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,1|2,0,0]=4 1231 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,1|2,0,0]=4 1232 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,1|2,0,0]=4 1233 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,1|2,0,0]=4 1234 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,1|2,0,0]=4 1235 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,1|1,0,0]=3 1236 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,1|1,0,0]=3 1237 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,1|1,0,0]=3 1238 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,1|1,0,0]=3 1239 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,1|1,0,1]=4 1240 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,1|1,0,1]=4 1241 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,1|1,0,0]=3 1242 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,1|1,0,0]=3 1243 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,1|1,0,0]=3 1244 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,0,0,0,1|2,0,0]=4 1245 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,0,0,0,1|2,0,0]=4 1246 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,0,0,0,1|2,0,0]=4 1247 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,0,0,0,1|2,0,0]=4 1248 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,0,0,0,1|2,0,0]=4 1249 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,0,0,0,1|2,0,0]=4 1250 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,0,0,0,1|2,0,0]=4 1251 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,0,0,0,1|2,0,0]=4 1252 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,0,0,0,1|2,0,0]=4 1253 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,1|2,0,0]=4 1254 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,0,0,0,1|2,0,0]=4 1255 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,0,0,0,1|2,0,0]=4 1256 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,0,0,0,1|2,0,0]=4 1257 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,1|1,0,0]=3 1258 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,1|1,0,0]=3 1259 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,1|1,0,0]=3 1260 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,1|1,0,0]=3 1261 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,1|1,0,0]=3 1262 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,1|1,0,1]=4 1263 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,1|1,0,1]=4 1264 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,1|1,0,1]=4 1265 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,1|1,0,0]=3 1266 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,1|1,0,0]=3 1267 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,1|1,0,0]=3 1268 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,1|1,0,0]=3 1269 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,1|1,0,1]=4 1270 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,1|1,0,1]=4 1271 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,1|1,0,1]=4 1272 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,1,0,0,0,1|2,0,0]=4 1273 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,1,0,0,0,1|2,0,0]=4 1274 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,1,0,0,0,1|2,0,0]=4 1275 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,1,0,0,0,1|2,0,0]=4 1276 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,0,0,0,1|1,0,0]=3 1277 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,0,0,0,1|1,0,0]=3 1278 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,0,0,0,1|1,0,0]=3 1279 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,0,0,0,1|1,0,0]=3 1280 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,1|1,0,0]=3 1281 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,1|1,0,0]=3 1282 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,1|1,0,0]=3 1283 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,1,0,0,0,1|1,0,1]=4 1284 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,0,0,0,1|1,0,0]=3 1285 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,1,0,0,0,1|2,0,0]=4 1286 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,0,0,0,1|2,0,0]=4 1287 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,1,0,0,0,1|2,0,0]=4 1288 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,0,0,0,1|1,0,0]=3 1289 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,0,0,0,1|1,0,0]=3 1290 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,0,0,0,1|1,0,0]=3 1291 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,1|0,0,0]=2 1292 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,1|1,0,0]=3 1293 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,1,0,0,0,1|2,0,0]=4 1294 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,1|0,0,0]=2 1295 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,1|0,0,0]=2 1296 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,1|0,0,0]=2 1297 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,1|0,0,0]=2 1298 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,1|0,0,0]=2 1299 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,1|0,0,0]=2 1300 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,1,0,0,0,1|1,0,1]=4 1301 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,1,0,0,0,1|1,0,1]=4 1302 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,1|1,0,1]=4 1303 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,1,0,0,0,1|1,0,1]=4 1304 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,1,0,0,0,1|1,0,1]=4 1305 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,1,0,0,0,1|2,0,0]=4 1306 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,1,0,0,0,1|2,0,0]=4 1307 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,1,0,0,0,1|1,0,1]=4 1308 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,1|1,0,1]=4 1309 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,1|1,0,1]=4 1310 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,0,0,0,1|0,1,0]=3 1311 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,1|1,1,0]=4 1312 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,0,0,0,1|0,1,0]=3 1313 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,0,0,0,1|0,1,0]=3 1314 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,0,0,0,1|0,1,0]=3 1315 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,0,0,0,1|0,1,0]=3 1316 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,0,0,0,1|0,1,0]=3 1317 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,0,0,0,1|0,1,0]=3 1318 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,1|0,1,0]=3 1319 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,1|0,1,0]=3 1320 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,0,0,0,1|2,0,0]=4 1321 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,1|2,0,0]=4 1322 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,1,0,0,0,1|2,0,0]=4 1323 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,1,0,0,0,1|2,0,0]=4 1324 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [0,1,0,0,0,1|1,0,1]=4 1325 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [0,1,0,0,0,1|1,0,1]=4 1326 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [0,1,0,0,0,1|1,0,1]=4 1327 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [0,1,0,0,0,1|1,0,1]=4 1328 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,1,0,0,0,1|1,0,1]=4 1329 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,1,0,0,0,1|1,0,1]=4 1330 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,1,0,0,0,1|1,0,1]=4 1331 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,1,0,0,0,1|1,0,1]=4 1332 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [0,1,0,0,0,1|1,0,1]=4 1333 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [0,1,0,0,0,1|1,0,1]=4 1334 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [0,1,0,0,0,1|1,0,1]=4 1335 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [0,1,0,0,0,1|1,0,1]=4 1336 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,1|1,0,1]=4 1337 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,1|1,0,1]=4 1338 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,1|1,0,1]=4 1339 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1340 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1341 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1342 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1343 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,1,0,0,0,1|1,0,1]=4 1344 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,1,0,0,0,1|1,0,1]=4 1345 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,1,0,0,0,1|1,0,1]=4 1346 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,1,0,0,0,1|1,0,1]=4 1347 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,1,0,0,0,1|1,0,1]=4 1348 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,1,0,0,0,1|1,0,1]=4 1349 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,1|1,0,1]=4 1350 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,1|1,0,1]=4 1351 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,1|1,0,1]=4 1352 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,1|1,0,1]=4 1353 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,1|1,0,1]=4 1354 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,1,0,0,0,1|1,0,1]=4 1355 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,1,0,0,0,1|1,0,1]=4 1356 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,0,0,0,1|1,0,1]=4 1357 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,1|1,0,1]=4 1358 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,1|1,0,1]=4 1359 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1360 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1361 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1362 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 1363 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1364 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1365 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 1366 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|1,0,1]=4 1367 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|1,0,1]=4 1368 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,1|1,0,0]=3 1369 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,1|1,0,0]=3 1370 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,1|2,0,0]=4 1371 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1372 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,1|2,0,0]=4 1373 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,1|2,0,0]=4 1374 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,1|1,0,0]=3 1375 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,1|1,0,0]=3 1376 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,0,0,0,1|1,0,1]=4 1377 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,0,0,0,1|1,0,1]=4 1378 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,0,0,0,1|1,0,1]=4 1379 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1380 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1381 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1382 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1383 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,1|1,0,0]=3 1384 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,1|1,0,0]=3 1385 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,1|1,0,0]=3 1386 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,1|1,0,0]=3 1387 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,1|1,0,0]=3 1388 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,1|1,0,0]=3 1389 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,1|2,0,0]=4 1390 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|2,0,0]=4 1391 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,1|1,0,0]=3 1392 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1393 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1394 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1395 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|2,0,0]=4 1396 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|2,0,0]=4 1397 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,1|1,0,0]=3 1398 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1399 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1400 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1401 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1402 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,1|1,0,0]=3 1403 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,1|1,0,1]=4 1404 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,1|1,0,1]=4 1405 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1406 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1407 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1408 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1409 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1410 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1411 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1412 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|1,0,0]=3 1413 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|1,0,0]=3 1414 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|1,0,0]=3 1415 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|2,0,0]=4 1416 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|1,0,1]=4 1417 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,1,0,0,0,1|1,0,1]=4 1418 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,1,0,0,0,1|1,0,1]=4 1419 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,1,0,0,0,1|1,0,1]=4 1420 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,1,0,0,0,1|1,0,1]=4 1421 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,1,0,0,0,1|1,0,1]=4 1422 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,1,0,0,0,1|1,0,1]=4 1423 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,1|1,0,0]=3 1424 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,1|1,0,0]=3 1425 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,1|1,0,0]=3 1426 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,1|1,0,0]=3 1427 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,1|1,0,0]=3 1428 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,1|1,0,0]=3 1429 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,1|1,0,0]=3 1430 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,1|1,0,0]=3 1431 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,1|1,0,0]=3 1432 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|0,0,0]=2 1433 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|0,0,0]=2 1434 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|0,0,0]=2 1435 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,1|1,0,1]=4 1436 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|1,0,1]=4 1437 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,1|0,0,0]=2 1438 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,1|0,0,0]=2 1439 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,1|0,0,0]=2 1440 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,1|0,0,0]=2 1441 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,1|0,0,0]=2 1442 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,0,0,0,1|1,0,1]=4 1443 B8R0.19 COC(C)SC(C)OC 62a_100009879195_100009879195 [0,1,0,0,0,1|1,0,1]=4 1444 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,0,0,0,1|1,0,1]=4 1445 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,0,0,0,1|1,0,1]=4 1446 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|2,0,0]=4 1447 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1448 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1449 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1450 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1451 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,1,0,0,0,1|1,0,1]=4 1452 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,1,0,0,0,1|1,0,1]=4 1453 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,1|1,0,0]=3 1454 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,1|2,0,0]=4 1455 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,1|1,0,0]=3 1456 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,1|1,0,0]=3 1457 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,1,0,0,0,1|1,0,1]=4 1458 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,1,0,0,0,1|1,0,1]=4 1459 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,1,0,0,0,1|1,0,1]=4 1460 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,1,0,0,0,1|1,0,1]=4 1461 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,1|1,0,1]=4 1462 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 1463 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 1464 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 1465 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,1|2,0,0]=4 1466 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,1|1,0,0]=3 1467 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,1,0,0,0,1|2,0,0]=4 1468 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,1,0,0,0,1|2,0,0]=4 1469 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,1,0,0,0,1|2,0,0]=4 1470 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,1|2,0,0]=4 1471 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,1,0,0,0,1|2,0,0]=4 1472 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,1|1,0,0]=3 1473 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,1|1,0,0]=3 1474 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,1|1,0,0]=3 1475 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,1|2,0,0]=4 1476 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,1|1,0,0]=3 1477 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,1|1,0,0]=3 1478 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,1|1,0,0]=3 1479 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,1|1,0,0]=3 1480 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,1|1,0,0]=3 1481 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,1|1,0,0]=3 1482 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,1|2,0,0]=4 1483 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,1|1,0,0]=3 1484 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,0,0,0,1|1,0,0]=3 1485 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,0,0,0,1|1,0,0]=3 1486 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,0,0,0,1|1,0,0]=3 1487 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,0,0,0,1|1,0,0]=3 1488 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,0,0,0,1|1,0,0]=3 1489 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,0,0,0,1|1,0,0]=3 1490 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,0,0,0,1|1,0,0]=3 1491 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,0,0,0,1|1,0,0]=3 1492 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,1,0,0,0,1|2,0,0]=4 1493 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,1,0,0,0,1|2,0,0]=4 1494 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,1,0,0,0,1|2,0,0]=4 1495 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,1,0,0,0,1|2,0,0]=4 1496 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,1,0,0,0,1|2,0,0]=4 1497 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,0,0,0,1|1,0,0]=3 1498 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,1|1,0,0]=3 1499 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,1|1,0,0]=3 1500 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,1|1,0,0]=3 1501 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,1|2,0,0]=4 1502 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,0,1|2,0,0]=4 1503 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,1|2,0,0]=4 1504 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,1|2,0,0]=4 1505 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,1,0,0,0,1|2,0,0]=4 1506 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,1,0,0,0,1|2,0,0]=4 1507 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,1,0,0,0,1|2,0,0]=4 1508 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,1,0,0,0,1|2,0,0]=4 1509 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,1,0,0,0,1|2,0,0]=4 1510 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,1,0,0,0,1|2,0,0]=4 1511 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,1,0,0,0,1|2,0,0]=4 1512 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,1,0,0,0,1|2,0,0]=4 1513 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,1,0,0,0,1|2,0,0]=4 1514 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,1,0,0,0,1|2,0,0]=4 1515 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,1,0,0,0,1|2,0,0]=4 1516 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,0,1|2,0,0]=4 1517 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,1,0,0,0,1|1,0,1]=4 1518 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,1,0,0,0,1|1,0,1]=4 1519 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,1,0,0,0,1|2,0,0]=4 1520 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,1,0,0,0,1|2,0,0]=4 1521 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,1,0,0,0,1|2,0,0]=4 1522 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,1,0,0,0,1|2,0,0]=4 1523 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,1,0,0,0,1|1,0,1]=4 1524 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,1,0,0,0,1|1,0,0]=3 1525 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,0,0,0,1|1,0,0]=3 1526 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,1,0,0,0,1|2,0,0]=4 1527 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,1,0,0,0,1|1,1,0]=4 1528 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,1,0,0,0,1|1,1,0]=4 1529 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,1,0,0,0,1|1,0,0]=3 1530 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,1,0,0,0,1|1,0,0]=3 1531 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,1,0,0,0,1|1,0,0]=3 1532 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,1,0,0,0,1|1,0,0]=3 1533 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,1,0,0,0,1|1,0,0]=3 1534 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,1,0,0,0,1|1,0,0]=3 1535 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,1,0,0,0,1|1,0,0]=3 1536 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,1,0,0,0,1|1,0,0]=3 1537 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,1,0,0,0,1|1,0,0]=3 1538 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,1,0,0,0,1|2,0,0]=4 1539 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,1,0,0,0,1|2,0,0]=4 1540 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,1,0,0,0,1|2,0,0]=4 1541 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,1,0,0,0,1|2,0,0]=4 1542 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,1,0,0,0,1|1,1,0]=4 1543 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,1,0,0,0,1|1,1,0]=4 1544 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,1,0,0,0,1|1,0,0]=3 1545 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,1,0,0,0,1|1,0,0]=3 1546 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,1,0,0,0,1|1,0,0]=3 1547 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,1,0,0,0,1|1,0,0]=3 1548 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,1,0,0,0,1|1,0,1]=4 1549 B8R0.24 COC(C)SC(C)(C)C 62a_100000211941_100009879195 [0,1,0,0,0,1|1,0,1]=4 1550 B8R0.24 COC(C)SC(C)(C)C 62a_100009879195_100000211941 [0,1,0,0,0,1|1,0,1]=4 1551 B8R0.34 CCS(=O)(=O)NC(C)C 270084a_100138425928_100000211323 [0,1,0,0,0,1|2,0,0]=4 1552 B8R0.34 CCS(=O)(=O)NC(C)C 274078a_100138425928_100000211323 [0,1,0,0,0,1|2,0,0]=4 1553 B8R0.34 CNS(=O)(=O)CC(C)C 270084a_100102657272_100000748289 [0,1,0,0,0,1|2,0,0]=4 1554 B8R0.34 CNS(=O)(=O)CC(C)C 274078a_100102657272_100000748289 [0,1,0,0,0,1|2,0,0]=4 1555 B8R0.3 C#CC(=O)C(C)CC#N 1458a_100000211873_100009813641 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,1]=4 1557 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|0,0,1]=3 1564 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,2,0,0,0,0|0,1,1]=4 1565 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.3 C#CCC(=O)C(C)OC 1458a_100000743197_100000184674 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,2,0,0,0,0|2,0,0]=4 1570 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,2,0,0,0,0|2,0,0]=4 1571 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,2,0,0,0,0|2,0,0]=4 1572 B8R0.3 C#CCN(C)C(=O)NC 2708a_100102657272_100000225692 [0,2,0,0,0,0|2,0,0]=4 1573 B8R0.3 C#CCN(C)C(=O)NC 273464a_100102657272_100000225692 [0,2,0,0,0,0|2,0,0]=4 1574 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|1,0,1]=4 1579 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 1580 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,0,2]=4 1581 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|0,0,2]=4 1582 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,0,2]=4 1583 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,0,2]=4 1584 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,0,2]=4 1585 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,0,2]=4 1586 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,1]=4 1589 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,1]=4 1590 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,1]=4 1591 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|1,0,1]=4 1593 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1594 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1596 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|1,0,1]=4 1597 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,1]=4 1599 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,0]=3 1602 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,0]=3 1604 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,0]=3 1605 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,0]=3 1606 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1611 B8R0.3 C=CCN(C)C(=O)NC 2708a_100102657272_100000225617 [0,2,0,0,0,0|2,0,0]=4 1612 B8R0.3 C=CCN(C)C(=O)NC 273464a_100102657272_100000225617 [0,2,0,0,0,0|2,0,0]=4 1613 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,0]=3 1615 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,2,0,0,0,0|1,0,1]=4 1617 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,2,0,0,0,0|1,0,1]=4 1618 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 1622 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 1623 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1624 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1625 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1626 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,2,0,0,0,0|1,0,1]=4 1627 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|1,0,1]=4 1632 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,0]=3 1633 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 1634 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 1635 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 1636 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 1637 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|1,0,0]=3 1638 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|1,0,0]=3 1639 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,1]=4 1644 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,1]=4 1645 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,1]=4 1646 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,1]=4 1647 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,1]=4 1648 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,0]=3 1650 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,0]=3 1651 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,0]=2 1652 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|0,1,0]=3 1653 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|1,0,0]=3 1654 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|1,0,1]=4 1655 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|1,0,1]=4 1661 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|1,0,1]=4 1662 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|1,0,0]=3 1665 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|1,0,0]=3 1666 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 1673 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|2,0,0]=4 1675 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 1677 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1678 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1679 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1680 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 1682 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 1683 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1697 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1698 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1699 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,0]=3 1700 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1701 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1702 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1703 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1704 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1705 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|1,1,0]=4 1706 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|1,1,0]=4 1707 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|1,1,0]=4 1708 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|1,1,0]=4 1709 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1710 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1716 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1717 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1718 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 1719 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 1720 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 1721 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|1,0,0]=3 1722 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 1723 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 1724 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 1725 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 1726 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 1727 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|1,0,0]=3 1728 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 1729 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 1730 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 1731 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 1732 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|1,0,0]=3 1733 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|1,0,0]=3 1734 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|1,0,0]=3 1735 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|1,0,0]=3 1736 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 1741 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 1742 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,0]=2 1743 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 1744 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1745 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1746 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,1]=4 1748 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,1]=4 1749 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|0,0,0]=2 1750 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|0,0,0]=2 1751 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|0,0,0]=2 1752 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|0,0,0]=2 1753 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|0,0,0]=2 1754 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|0,0,0]=2 1755 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|0,0,0]=2 1756 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|0,0,0]=2 1757 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|1,0,0]=3 1758 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|1,0,0]=3 1759 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|1,0,0]=3 1760 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,0,0]=3 1761 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,0,0]=3 1762 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,0,0]=3 1763 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,0,0]=3 1764 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,0,0]=3 1765 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|0,0,0]=2 1766 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|0,0,0]=2 1767 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,0]=3 1768 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|2,0,0]=4 1769 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1772 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 1775 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,0,0]=2 1776 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,0,0]=2 1777 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|1,0,1]=4 1778 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|2,0,0]=4 1779 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|0,1,0]=3 1780 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|0,1,0]=3 1781 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,0]=3 1782 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,0]=3 1783 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,0]=3 1784 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1785 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,0]=3 1786 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1787 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1788 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1789 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,0]=3 1790 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,0]=3 1791 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,0,0]=2 1792 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,0,0]=2 1793 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1798 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|1,0,0]=3 1800 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1801 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1802 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1803 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|1,0,0]=3 1804 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1805 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1806 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1807 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|1,0,0]=3 1808 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|1,0,0]=3 1809 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.3 CNC(=O)N(C)CC#N 273464a_100102657272_100000748184 [0,2,0,0,0,0|2,0,0]=4 1812 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1813 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|1,0,0]=3 1815 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,1]=4 1816 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1820 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1821 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,0,0]=2 1822 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,2,0,0,0,0|1,0,1]=4 1823 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|1,0,0]=3 1824 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|1,0,0]=3 1825 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,1]=4 1827 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,1]=4 1828 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,1]=4 1829 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,1]=4 1830 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,0,0]=2 1831 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,0,0]=2 1832 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,0,0]=2 1833 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,0,0]=2 1834 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,0,0]=2 1835 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,0,0]=2 1836 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|0,0,0]=2 1837 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|0,0,0]=2 1838 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|0,0,0]=2 1839 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.3 COC(C)C(=O)CC#N 1458a_100000743197_100011214920 [0,2,0,0,0,0|1,0,1]=4 1842 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,0]=3 1844 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,1]=4 1845 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|0,0,1]=3 1846 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,0,0]=2 1849 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,0,0]=2 1850 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,0,0]=2 1851 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,0]=3 1855 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|1,1,0]=4 1857 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|1,1,0]=4 1858 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|1,1,0]=4 1859 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|1,1,0]=4 1860 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|1,0,1]=4 1861 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,2,0,0,0,0|0,1,1]=4 1864 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,2,0,0,0,0|1,0,0]=3 1868 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,2,0,0,0,0|1,0,0]=3 1869 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,2,0,0,0,0|2,0,0]=4 1872 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,2,0,0,0,0|1,0,0]=3 1877 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,2,0,0,0,0|1,0,0]=3 1878 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,2,0,0,0,0|1,0,0]=3 1879 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,2,0,0,0,0|2,0,0]=4 1883 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.8 C#CCNC(=O)N(C)C 2708a_100000212058_100102631434 [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.8 C#CCOC(C)C(C)C 7a_100000748068_100000038162 [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,2,0,0,0,0|1,0,0]=3 1890 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|0,0,2]=4 1894 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,2,0,0,0,0|1,0,1]=4 1895 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|1,0,0]=3 1897 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|1,0,0]=3 1905 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|1,0,0]=3 1906 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|1,0,0]=3 1907 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,2,0,0,0,0|1,0,1]=4 1914 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,2,0,0,0,0|1,0,0]=3 1915 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,2,0,0,0,0|1,0,0]=3 1919 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,2,0,0,0,0|1,0,0]=3 1920 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,2,0,0,0,0|1,0,0]=3 1921 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|1,0,0]=3 1922 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|1,0,0]=3 1923 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,2,0,0,0,0|0,1,0]=3 1924 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,2,0,0,0,0|0,1,0]=3 1925 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,2,0,0,0,0|1,0,0]=3 1926 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,2,0,0,0,0|1,0,0]=3 1927 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 1928 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 1929 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 1930 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 1931 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 1932 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 1933 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|0,0,0]=2 1934 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|0,0,0]=2 1935 B8R0.8 CC(C)C(C)OCC#N 7a_100000748068_100011215382 [0,2,0,0,0,0|1,0,1]=4 1936 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|1,0,1]=4 1937 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,2,0,0,0,0|1,0,1]=4 1938 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|1,0,1]=4 1939 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 1947 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,2,0,0,0,0|1,0,0]=3 1953 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|1,0,0]=3 1964 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|1,0,0]=3 1968 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|1,0,0]=3 1969 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 1977 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 1978 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 1979 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 1980 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|1,0,1]=4 1989 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,2,0,0,0,0|2,0,0]=4 1991 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,2,0,0,0,0|1,0,0]=3 1994 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,1]=4 1998 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,0]=2 1999 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,0]=2 2000 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 2001 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 2002 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 2003 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|1,0,0]=3 2004 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 2005 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,1]=4 2007 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|0,1,0]=3 2008 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|0,1,0]=3 2009 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|0,1,0]=3 2010 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 2011 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 2012 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 2013 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 2014 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,2,0,0,0,0|1,1,0]=4 2015 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,2,0,0,0,0|1,1,0]=4 2016 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|1,0,0]=3 2022 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,2,0,0,0,0|1,1,0]=4 2023 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,2,0,0,0,0|1,1,0]=4 2024 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,2,0,0,0,0|1,1,0]=4 2025 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,2,0,0,0,0|1,1,0]=4 2026 B8R0.8 CN(C)C(=O)NCC#N 2708a_100000734998_100102631434 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,2,0,0,0,0|0,0,0]=2 2031 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,2,0,0,0,0|1,0,0]=3 2032 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,2,0,0,0,0|1,0,0]=3 2033 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|0,0,0]=2 2034 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|0,0,0]=2 2035 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|1,0,0]=3 2036 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 2038 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 2039 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,0]=3 2044 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|1,0,1]=4 2045 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,2,0,0,0,0|1,0,1]=4 2053 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|0,1,0]=3 2054 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|0,1,0]=3 2055 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|1,1,0]=4 2056 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,2,0,0,0,0|1,1,0]=4 2057 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,2,0,0,0,0|1,1,0]=4 2058 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,2,0,0,0,0|1,1,0]=4 2059 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,2,0,0,0,0|1,1,0]=4 2060 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,2,0,0,0,0|1,1,0]=4 2061 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,2,0,0,0,0|1,1,0]=4 2062 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,1,0]=4 2063 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,1,0]=4 2064 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|0,0,0]=2 2065 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|0,0,0]=2 2066 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|2,0,0]=4 2069 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,2,0,0,0,0|2,0,0]=4 2075 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.12 CC(C)C(C)(C)OCF 7a_100011215261_100015361967 [0,2,0,0,0,0|1,0,1]=4 2079 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.14 C#CCC(=O)C(C)(C)C 1458a_106744555173_100000184674 [0,2,0,0,0,0|1,0,1]=4 2083 B8R0.14 C#CCC(=O)C(C)(C)F 1458a_100000765255_100000184674 [0,2,0,0,0,0|1,0,1]=4 2084 B8R0.14 C#CCC(=O)C(C)(C)O 1458a_100000242741_100000184674 [0,2,0,0,0,0|1,0,1]=4 2085 B8R0.14 C=CCC(=O)C(C)(C)C 1458a_106744555173_100000210623 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.14 C=CCC(=O)C(C)(C)F 1458a_100000765255_100000210623 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.14 CC(C)(C)C(=O)CC#N 1458a_106744555173_100011214920 [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,2,0,0,0,0|1,0,0]=3 2090 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,2,0,0,0,0|1,0,0]=3 2091 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|0,0,0]=2 2092 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|0,0,0]=2 2093 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,2,0,0,0,0|0,1,0]=3 2094 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,2,0,0,0,0|0,1,0]=3 2095 B8R0.14 CC(C)(F)C(=O)CC#N 1458a_100000765255_100011214920 [0,2,0,0,0,0|1,0,1]=4 2096 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,2,0,0,0,0|1,0,0]=3 2097 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,2,0,0,0,0|1,0,0]=3 2098 B8R0.14 CC(C)(O)C(=O)CC#N 1458a_100000242741_100011214920 [0,2,0,0,0,0|1,0,1]=4 2099 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,2,0,0,0,0|1,0,0]=3 2100 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 2105 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 2106 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 2109 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 2110 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|1,0,0]=3 2111 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 2112 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 2113 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 2114 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,2,0,0,0,0|1,0,0]=3 2116 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,2,0,0,0,0|1,0,0]=3 2117 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,2,0,0,0,0|1,0,0]=3 2118 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,2,0,0,0,0|1,0,0]=3 2119 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|0,0,0]=2 2121 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|0,0,0]=2 2122 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|0,0,0]=2 2123 B8R0.14 COCC(=O)C(F)(F)F 1458a_100000210968_200000243211 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.14 COCC(=O)C(F)(F)F 34a_100138415774_100000002480 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.14 COCN(C)C(C)(C)C 269982a_100011215553_100000766300 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,2,0,0,0,0|0,1,0]=3 2127 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,2,0,0,0,0|0,1,0]=3 2128 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 2129 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 2130 B8R0.15 C#CC(OCF)C(C)C 34a_100011217124_100015361967 [0,2,0,0,0,0|1,0,1]=4 2131 B8R0.15 C#CC(OCF)C(C)C 7a_100011217124_100015361967 [0,2,0,0,0,0|1,0,1]=4 2132 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 2133 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 2134 B8R0.15 C=CC(OCF)C(C)C 34a_100000732651_100015361967 [0,2,0,0,0,0|1,0,1]=4 2135 B8R0.15 C=CC(OCF)C(C)C 7a_100000732651_100015361967 [0,2,0,0,0,0|1,0,1]=4 2136 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [0,2,0,0,0,0|1,0,1]=4 2137 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [0,2,0,0,0,0|1,0,1]=4 2138 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [0,2,0,0,0,0|1,0,1]=4 2140 B8R0.15 CC(C)C(C#N)OCF 34a_100000748901_100015361967 [0,2,0,0,0,0|1,0,1]=4 2141 B8R0.15 CC(C)C(C#N)OCF 7a_100000748901_100015361967 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|1,0,1]=4 2143 B8R0.15 CC(C)C(CN)OCF 34a_100000759067_100015361967 [0,2,0,0,0,0|1,0,1]=4 2144 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2145 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2146 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2147 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2148 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [0,2,0,0,0,0|1,0,1]=4 2149 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [0,2,0,0,0,0|1,0,1]=4 2150 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,2,0,0,0,0|1,0,1]=4 2151 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,2,0,0,0,0|1,0,1]=4 2152 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,2,0,0,0,0|1,0,1]=4 2153 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,2,0,0,0,0|1,0,1]=4 2154 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.15 CCN(COC)C(C)C 2230a_100000223864_100000766300 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.15 CCN(COC)C(C)C 269982a_100000223864_100000766300 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 2159 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 2160 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 2161 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 2162 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|1,0,1]=4 2163 B8R0.15 CNC(COC)C(C)C 2230a_100000760233_200000210301 [0,2,0,0,0,0|1,0,1]=4 2164 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|1,0,1]=4 2165 B8R0.15 COCC(N[13CH3])C(C)C 2230a_100000760233_200025704644 [0,2,0,0,0,0|1,0,1]=4 2166 B8R0.13 C#CC(=O)C(C)(C)C#C 1458a_100000211873_100000038118 [0,2,0,0,0,0|1,0,1]=4 2167 B8R0.13 C#CC(C)(C)C(=O)C=C 1458a_100000185746_100000038118 [0,2,0,0,0,0|1,0,1]=4 2168 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [0,2,0,0,0,0|1,0,0]=3 2169 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [0,2,0,0,0,0|1,0,0]=3 2170 B8R0.13 C#CC(C)(C)C(=O)CF 1458a_100000079900_100015361967 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.13 C#CC(C)(C)C(=O)NC 11a_106832991635_100000079900 [0,2,0,0,0,0|1,0,0]=3 2173 B8R0.13 C#CC(C)(C)C(=O)NC 1626a_100102657272_100000079900 [0,2,0,0,0,0|1,0,0]=3 2174 B8R0.13 C#CC(C)(C)C(=O)NC 240690a_100102657272_100000079900 [0,2,0,0,0,0|1,0,0]=3 2175 B8R0.13 C#CC(C)(C)C(=O)NC 527a_100102657272_100000079900 [0,2,0,0,0,0|1,0,0]=3 2176 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.13 C=CC(C)(C)C(=O)CF 1458a_100012027013_100015361967 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.13 C=CC(C)(C)C(=O)NC 11a_106832991635_100012027013 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.13 C=CC(C)(C)C(=O)NC 1626a_100102657272_100012027013 [0,2,0,0,0,0|1,0,0]=3 2180 B8R0.13 C=CC(C)(C)C(=O)NC 240690a_100102657272_100012027013 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.13 C=CC(C)(C)C(=O)NC 527a_100102657272_100012027013 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.13 CC(C)(C#N)C(=O)CF 1458a_100000740761_100015361967 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.13 CC(C)(O[13CH3])C(=O)NN 34a_100000061348_200025704644 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [0,2,0,0,0,0|1,0,0]=3 2187 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 2188 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|1,0,0]=3 2189 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|1,0,0]=3 2190 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|1,0,0]=3 2191 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,0]=3 2192 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|1,0,0]=3 2195 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2196 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2197 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2198 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|2,0,0]=4 2199 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|1,0,0]=3 2200 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2201 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2206 B8R0.13 CNC(=O)C(C)(C)C#N 11a_106832991635_100000740761 [0,2,0,0,0,0|1,0,0]=3 2207 B8R0.13 CNC(=O)C(C)(C)C#N 1626a_100102657272_100000740761 [0,2,0,0,0,0|1,0,0]=3 2208 B8R0.13 CNC(=O)C(C)(C)C#N 240690a_100102657272_100000740761 [0,2,0,0,0,0|1,0,0]=3 2209 B8R0.13 CNC(=O)C(C)(C)C#N 527a_100102657272_100000740761 [0,2,0,0,0,0|1,0,0]=3 2210 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,2,0,0,0,0|1,0,0]=3 2211 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,2,0,0,0,0|1,0,0]=3 2212 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,2,0,0,0,0|1,0,0]=3 2213 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,2,0,0,0,0|1,0,0]=3 2214 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,2,0,0,0,0|1,0,0]=3 2215 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,2,0,0,0,0|1,0,0]=3 2216 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,2,0,0,0,0|1,0,0]=3 2217 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,2,0,0,0,0|1,0,0]=3 2218 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,2,0,0,0,0|1,0,0]=3 2219 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,2,0,0,0,0|1,0,0]=3 2220 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,2,0,0,0,0|1,0,0]=3 2221 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,2,0,0,0,0|1,0,0]=3 2222 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,2,0,0,0,0|1,0,0]=3 2223 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,2,0,0,0,0|1,0,0]=3 2224 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,2,0,0,0,0|1,0,0]=3 2225 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,2,0,0,0,0|1,0,0]=3 2226 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,2,0,0,0,0|1,0,0]=3 2227 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,2,0,0,0,0|1,0,0]=3 2228 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|0,0,0]=2 2229 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|0,0,0]=2 2230 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|0,0,0]=2 2231 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|1,0,0]=3 2232 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|1,0,0]=3 2233 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|0,0,0]=2 2234 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|0,0,0]=2 2235 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|0,0,0]=2 2236 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|0,0,0]=2 2237 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|0,0,0]=2 2238 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|0,0,0]=2 2239 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|0,0,0]=2 2240 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|0,0,0]=2 2241 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|0,0,0]=2 2242 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|0,0,0]=2 2243 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|0,0,0]=2 2244 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|0,0,0]=2 2245 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|0,0,0]=2 2246 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|1,0,0]=3 2247 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|1,0,0]=3 2248 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|1,0,0]=3 2249 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|1,0,0]=3 2250 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|1,0,0]=3 2251 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.13 COC(C)(C)C(=O)NN 34a_100000061348_200000210301 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,1]=4 2255 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 2256 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 2257 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,0]=3 2258 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 2259 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 2260 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 2261 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 2262 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|1,0,0]=3 2263 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2265 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2266 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|1,0,0]=3 2270 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2271 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2272 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2273 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,0]=2 2274 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,0]=2 2275 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,0]=2 2276 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|1,0,0]=3 2278 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2279 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2280 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2281 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,0,0]=2 2282 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,0,0]=2 2283 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,0,0]=2 2284 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,0,0]=2 2285 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,0,0]=2 2286 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,0]=2 2287 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,0]=2 2288 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,0]=2 2289 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,0]=2 2290 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2291 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2293 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2294 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2295 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2296 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|1,0,0]=3 2297 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|1,0,0]=3 2298 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|1,0,0]=3 2299 B8R0.20 CNC(C)C(OC)OC 270004a_106832991635_100000211384 [0,2,0,0,0,0|0,0,2]=4 2300 B8R0.20 CNC(C)C(OC)OC 34a_100102657272_100011222894 [0,2,0,0,0,0|0,0,2]=4 2301 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|0,0,1]=3 2302 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|0,0,0]=2 2303 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|0,0,0]=2 2304 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|0,0,1]=3 2305 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|0,0,1]=3 2306 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|0,0,1]=3 2307 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|0,0,1]=3 2308 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|0,0,1]=3 2309 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|0,0,0]=2 2310 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|0,0,0]=2 2311 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|0,0,0]=2 2312 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|0,0,0]=2 2313 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|0,0,0]=2 2314 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|0,0,0]=2 2315 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|0,0,0]=2 2316 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|0,0,0]=2 2317 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|0,0,0]=2 2318 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|0,0,0]=2 2319 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|0,0,0]=2 2320 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|0,0,0]=2 2321 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|0,0,0]=2 2322 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|0,0,0]=2 2323 B8R0.20 COC(C)C(OC)OC 34a_100000754440_200000210301 [0,2,0,0,0,0|0,0,2]=4 2324 B8R0.20 COC(C)C(OC)OC 34a_100138415774_100011222894 [0,2,0,0,0,0|0,0,2]=4 2325 B8R0.20 COC(C)C(OC)OC 7a_100000754440_200000210301 [0,2,0,0,0,0|0,0,2]=4 2326 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,2,0,0,0,0|2,0,0]=4 2327 B8R0.20 COC(OC)C(C)O[13CH3] 34a_100000754440_200025704644 [0,2,0,0,0,0|0,0,2]=4 2328 B8R0.20 COC(OC)C(C)O[13CH3] 7a_100000754440_200025704644 [0,2,0,0,0,0|0,0,2]=4 2329 B8R0.20 COC(OC)C(C)SC 62a_100011222894_200000210301 [0,2,0,0,0,0|0,0,2]=4 2330 B8R0.20 COC(OC)C(C)SC 62a_200000210301_100011222894 [0,2,0,0,0,0|0,0,2]=4 2331 B8R0.20 COC(OC)C(C)S[13CH3] 62a_100011222894_200025704644 [0,2,0,0,0,0|0,0,2]=4 2332 B8R0.20 COC(OC)C(C)S[13CH3] 62a_200025704644_100011222894 [0,2,0,0,0,0|0,0,2]=4 2333 B8R0.17 CC(C)(C)C(C)(C)O[13CH3] 7a_100000181956_200025704644 [0,2,0,0,0,0|1,0,1]=4 2334 B8R0.17 COC(C)(C)C(C)(C)C 7a_100000181956_200000210301 [0,2,0,0,0,0|1,0,1]=4 2335 B8R0.36 C#CC(C)(OC)C(C)C 34a_200011216185_200000210301 [0,2,0,0,0,0|1,0,1]=4 2336 B8R0.36 C#CC(C)(OC)C(C)C 7a_200011216185_200000210301 [0,2,0,0,0,0|1,0,1]=4 2337 B8R0.36 C#CC(C)(O[13CH3])C(C)C 34a_200011216185_200025704644 [0,2,0,0,0,0|1,0,1]=4 2338 B8R0.36 C#CC(C)(O[13CH3])C(C)C 7a_200011216185_200025704644 [0,2,0,0,0,0|1,0,1]=4 2339 B8R0.37 CC(C)S(=O)(=O)N(C)C 270084a_100102631434_100000742656 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.37 CC(C)S(=O)(=O)N(C)C 274078a_100102631434_100000742656 [0,2,0,0,0,0|2,0,0]=4 2341 B8R0.26 CCC(OC)C(C)(C)C 7a_100011215073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2342 B8R0.26 CCC(O[13CH3])C(C)(C)C 7a_100011215073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [0,2,0,0,0,0|1,0,0]=3 2344 B8R0.27 CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000210206 [0,2,0,0,0,0|1,0,0]=3 2345 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,2,0,0,0,0|1,0,0]=3 2346 B8R0.27 CC(C)C(=O)C(F)(F)F 1458a_100000210198_200000243211 [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.27 CC(C)C(=O)C(F)(F)F 1458a_100015355933_100000210206 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.27 CN(C)C(=O)C(C)(C)C 11a_100102631434_106744555173 [0,2,0,0,0,0|1,0,0]=3 2349 B8R0.27 CN(C)C(=O)C(C)(C)C 1626a_100102631434_106744555173 [0,2,0,0,0,0|1,0,0]=3 2350 B8R0.27 CN(C)C(=O)C(C)(C)C 240690a_100102631434_106744555173 [0,2,0,0,0,0|1,0,0]=3 2351 B8R0.27 CN(C)C(=O)C(C)(C)C 527a_100102631434_106744555173 [0,2,0,0,0,0|1,0,0]=3 2352 B8R0.27 CN(C)C(=O)C(C)(C)F 11a_100102631434_100000765255 [0,2,0,0,0,0|1,0,0]=3 2353 B8R0.27 CN(C)C(=O)C(C)(C)F 1626a_100102631434_100000765255 [0,2,0,0,0,0|1,0,0]=3 2354 B8R0.27 CN(C)C(=O)C(C)(C)F 240690a_100102631434_100000765255 [0,2,0,0,0,0|1,0,0]=3 2355 B8R0.27 CN(C)C(=O)C(C)(C)F 527a_100102631434_100000765255 [0,2,0,0,0,0|1,0,0]=3 2356 B8R0.27 CN(C)C(=O)C(C)(C)O 240690a_100102631434_100000242741 [0,2,0,0,0,0|1,0,0]=3 2357 B8R0.27 CN(C)C(=O)C(C)(F)F 11a_100102631434_100000042251 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.27 CN(C)C(=O)C(C)(F)F 1626a_100102631434_100000042251 [0,2,0,0,0,0|2,0,0]=4 2359 B8R0.27 CN(C)C(=O)C(C)(F)F 240690a_100102631434_100000042251 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.27 CN(C)C(=O)C(C)(F)F 527a_100102631434_100000042251 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.18 CC(C)C(O[13CH3])C(C)C 34a_100011216681_200025704644 [0,2,0,0,0,0|1,0,1]=4 2362 B8R0.18 CC(C)C(O[13CH3])C(C)C 7a_100011216681_200025704644 [0,2,0,0,0,0|1,0,1]=4 2363 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|0,1,1]=4 2364 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|0,1,1]=4 2365 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|1,0,1]=4 2366 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2367 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2368 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|1,0,1]=4 2371 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|1,0,1]=4 2372 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|1,0,1]=4 2373 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|0,0,1]=3 2374 B8R0.18 COC(C(C)C)C(C)C 34a_100011216681_200000210301 [0,2,0,0,0,0|1,0,1]=4 2375 B8R0.18 COC(C(C)C)C(C)C 7a_100011216681_200000210301 [0,2,0,0,0,0|1,0,1]=4 2376 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|0,1,1]=4 2377 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|0,1,1]=4 2378 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|2,0,0]=4 2379 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|2,0,0]=4 2380 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|2,0,0]=4 2381 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 2382 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 2383 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|1,0,1]=4 2384 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 2385 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|1,0,1]=4 2386 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 2387 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|0,0,1]=3 2388 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|0,0,1]=3 2389 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|1,0,1]=4 2390 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|1,0,1]=4 2391 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|0,1,1]=4 2392 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|0,1,1]=4 2393 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 2394 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 2395 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|0,0,1]=3 2396 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|1,0,1]=4 2397 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|0,1,1]=4 2398 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|0,1,1]=4 2399 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 2400 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 2401 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 2402 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 2403 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 2404 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 2405 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,1]=4 2406 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,1]=4 2407 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,1]=4 2408 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 2409 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 2410 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,1|1,0,1]=4 2411 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,1|1,0,1]=4 2412 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,1|2,0,0]=4 2413 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,1|1,0,0]=3 2414 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,1|2,0,0]=4 2415 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,1|1,0,0]=3 2416 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,1|2,0,0]=4 2417 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,0,1,0,1|1,0,1]=4 2418 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,0,1,0,1|1,0,1]=4 2419 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,0,1,0,1|1,0,1]=4 2420 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,0,1,0,1|1,0,1]=4 2421 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,1|1,0,0]=3 2422 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,1|1,0,0]=3 2423 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,1|2,0,0]=4 2424 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,1|2,0,0]=4 2425 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,1|2,0,0]=4 2426 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,1|1,0,0]=3 2427 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,1|1,0,0]=3 2428 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,1|1,0,0]=3 2429 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,0,1,0,1|1,0,0]=3 2430 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,0,1,0,1|1,0,0]=3 2431 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,0,1,0,1|1,0,0]=3 2432 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,0,1,0,1|1,0,0]=3 2433 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,0,1,0,1|1,0,0]=3 2434 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,0,1,0,1|1,0,0]=3 2435 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,0,1,0,1|1,0,0]=3 2436 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,0,1,0,1|1,0,0]=3 2437 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,0,1,0,1|1,0,0]=3 2438 B8R1.40 COC(C)SC1CC1 62a_100009879195_100000211595 [0,0,0,1,0,1|1,0,1]=4 2439 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,1|2,0,0]=4 2440 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,1|2,0,0]=4 2441 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,1|2,0,0]=4 2442 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,1|2,0,0]=4 2443 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,1|2,0,0]=4 2444 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,1|1,0,0]=3 2445 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,1|2,0,0]=4 2446 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,0,1,0,1|1,0,0]=3 2447 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,0,1,0,1|1,0,0]=3 2448 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,0,1,0,1|1,0,0]=3 2449 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,0,1,0,1|2,0,0]=4 2450 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,0,1,0,1|2,0,0]=4 2451 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,0,1,0,1|2,0,0]=4 2452 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,0,1,0,1|1,0,0]=3 2453 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,0,1,0,1|1,0,0]=3 2454 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,1,0,1,0,0|2,0,0]=4 2455 B8R1.19 CC1(COCN1[13CH3])C 2230a_100000043020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2456 B8R1.19 CC1(COCN1[13CH3])C 269982a_100000043020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2457 B8R1.19 CN1COCC1(C)C 2230a_100000043020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2458 B8R1.19 CN1COCC1(C)C 269982a_100000043020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2459 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,1,0,1,0,0|1,0,1]=4 2460 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,1,0,1,0,0|1,0,1]=4 2461 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [0,1,0,1,0,0|0,0,2]=4 2462 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [0,1,0,1,0,0|0,0,2]=4 2463 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,1,0,1,0,0|1,0,1]=4 2464 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,1,0,1,0,0|1,0,1]=4 2465 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [0,1,0,1,0,0|0,0,2]=4 2466 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [0,1,0,1,0,0|0,0,2]=4 2467 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,1,0,1,0,0|1,0,1]=4 2468 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,1]=4 2469 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,1,0,1,0,0|1,0,1]=4 2470 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,1,0,1,0,0|1,0,1]=4 2471 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|1,0,0]=3 2472 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|2,0,0]=4 2473 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 2474 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 2475 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 2476 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|2,0,0]=4 2477 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|2,0,0]=4 2478 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|2,0,0]=4 2479 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 2480 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 2481 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 2482 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|1,0,0]=3 2483 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 2484 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,1,0,1,0,0|1,0,0]=3 2485 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,1,0,1,0,0|2,0,0]=4 2486 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|0,0,0]=2 2487 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|0,0,0]=2 2488 B8R1.37 COCN(C)C1CC1 2230a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 2489 B8R1.37 COCN(C)C1CC1 269982a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 2490 B8R1.37 COC[C@H](N)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|1,0,1]=4 2491 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|0,1,0]=3 2492 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|0,1,0]=3 2493 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,1,0,1,0,0|1,0,1]=4 2494 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|1,0,0]=3 2495 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|2,0,0]=4 2496 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|1,0,0]=3 2497 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|2,0,0]=4 2498 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|0,0,0]=2 2499 B8R1.37 [13CH3]OC[C@H](N)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|1,0,1]=4 2500 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|0,1,0]=3 2501 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|0,1,0]=3 2502 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|1,0,0]=3 2503 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|0,0,0]=2 2504 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 2505 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 2506 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 2507 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 2508 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [0,1,0,1,0,0|1,0,0]=3 2509 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [0,1,0,1,0,0|1,0,0]=3 2510 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [0,1,0,1,0,0|1,0,0]=3 2511 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [0,1,0,1,0,0|1,0,0]=3 2512 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|1,0,1]=4 2513 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|1,0,1]=4 2514 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2515 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 2516 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2517 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2518 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2519 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 2520 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,0]=2 2521 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 2522 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|1,0,1]=4 2523 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 2524 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 2525 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,0]=3 2526 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,0]=3 2527 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|1,0,1]=4 2528 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|1,0,1]=4 2529 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,0]=2 2530 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,0]=3 2531 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|1,0,1]=4 2532 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|1,0,0]=3 2533 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|1,0,0]=3 2534 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,0]=2 2535 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,0]=2 2536 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|1,0,1]=4 2537 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2538 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2539 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 2540 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 2541 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,0]=3 2542 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,0]=3 2543 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|1,0,0]=3 2544 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|1,0,0]=3 2545 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,0]=2 2546 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,0]=2 2547 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,1]=4 2548 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,1,0,0|1,0,1]=4 2549 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,1]=4 2550 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,1,0,0|1,0,1]=4 2551 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 2552 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 2553 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 2554 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 2555 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|1,0,0]=3 2556 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|1,0,0]=3 2557 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|1,0,0]=3 2558 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2559 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2560 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2561 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 2562 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2563 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2564 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2565 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,0]=3 2566 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 2567 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 2568 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 2569 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|1,0,0]=3 2570 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 2571 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 2572 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 2573 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2574 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2575 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 2576 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 2577 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|2,0,0]=4 2578 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|2,0,0]=4 2579 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 2580 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|2,0,0]=4 2581 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 2582 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|2,0,0]=4 2583 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 2584 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|1,0,0]=3 2585 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|1,0,0]=3 2586 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|1,0,0]=3 2587 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2588 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2589 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2590 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|1,0,0]=3 2591 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2592 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2593 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2594 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|1,0,0]=3 2595 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|2,0,0]=4 2596 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|2,0,0]=4 2597 B8R1.28 CNS(=O)(=O)C1CC1 270084a_100102657272_100000750908 [0,1,0,1,0,0|2,0,0]=4 2598 B8R1.28 CNS(=O)(=O)C1CC1 274078a_100102657272_100000750908 [0,1,0,1,0,0|2,0,0]=4 2599 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,1,0,1,0,0|1,0,1]=4 2600 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,1,0,1,0,0|1,0,1]=4 2601 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,1,0,1,0,0|1,0,1]=4 2602 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,1,0,1,0,0|1,0,1]=4 2603 B8R1.33 COC(CN)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|1,0,1]=4 2604 B8R1.33 [13CH3]OC(CN)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|1,0,1]=4 2605 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,0,0,0,0,2|1,0,1]=4 2606 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,0,0,0,0,2|1,0,1]=4 2607 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,0,0,0,0,2|1,0,1]=4 2608 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,0,0,0,0,2|1,0,1]=4 2609 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,0,0,0,0,2|1,0,1]=4 2610 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,0,0,0,0,2|2,0,0]=4 2611 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,0,0,0,0,2|2,0,0]=4 2612 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,0,0,0,0,2|2,0,0]=4 2613 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,0,0,0,2|1,0,1]=4 2614 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,0,0,0,2|1,0,1]=4 2615 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,0,0,0,0,2|2,0,0]=4 2616 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,0,0,0,0,2|2,0,0]=4 2617 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,0,0,0,0,2|2,0,0]=4 2618 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,0,0,0,0,2|2,0,0]=4 2619 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,0,0,0,0,2|2,0,0]=4 2620 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,0,0,0,0,2|1,0,0]=3 2621 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,2|1,0,1]=4 2622 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,2|1,0,1]=4 2623 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,0,0,0,0,2|1,0,0]=3 2624 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,0,0,0,0,2|1,0,0]=3 2625 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,0,2|2,0,0]=4 2626 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,0,0,0,0,2|2,0,0]=4 2627 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,0,0,0,0,2|1,0,0]=3 2628 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,0,0,0,0,2|1,0,0]=3 2629 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,0,0,0,0,2|1,0,0]=3 2630 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,0,0,0,0,2|1,0,0]=3 2631 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,0,0,0,0,2|1,0,0]=3 2632 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,0,0,0,0,2|1,0,0]=3 2633 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,0,0,0,0,2|1,0,0]=3 2634 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,0,0,0,0,2|1,0,0]=3 2635 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,0,0,0,0,2|1,0,0]=3 2636 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,0,0,0,2|2,0,0]=4 2637 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,0,0,0,2|2,0,0]=4 2638 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,0,0,0,2|2,0,0]=4 2639 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,0,0,0,0,2|1,0,0]=3 2640 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,0,0,0,0,2|1,0,0]=3 2641 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,0,0,0,0,2|1,0,0]=3 2642 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,0,0,0,0,2|1,0,0]=3 2643 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,0,2|1,0,1]=4 2644 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 2645 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 2646 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 2647 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,0,0,0,0,2|1,0,0]=3 2648 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,0,0,0,0,2|1,0,0]=3 2649 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,0,0,0,0,2|1,0,0]=3 2650 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,0,0,0,0,2|1,0,0]=3 2651 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,0,0,0,2|2,0,0]=4 2652 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,0,0,0,0,2|2,0,0]=4 2653 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,0,0,0,0,2|2,0,0]=4 2654 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,0,0,0,0,2|2,0,0]=4 2655 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,0,0,0,0,2|2,0,0]=4 2656 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,0,0,0,0,2|2,0,0]=4 2657 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,0,0,0,0,2|2,0,0]=4 2658 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,0,0,0,0,2|2,0,0]=4 2659 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,0,0,0,0,2|2,0,0]=4 2660 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,0,0,0,0,2|2,0,0]=4 2661 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,0,0,0,0,2|2,0,0]=4 2662 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,0,0,0,0,2|2,0,0]=4 2663 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,0,0,0,0,2|2,0,0]=4 2664 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,0,0,0,0,2|1,0,0]=3 2665 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,0,0,0,0,2|1,0,0]=3 2666 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,0,0,0,0,2|1,0,0]=3 2667 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,0,0,0,0,2|1,0,0]=3 2668 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,0,0,0,0,2|1,0,0]=3 2669 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,0,0,0,0,2|1,0,0]=3 2670 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,0,0,0,0,2|1,0,0]=3 2671 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,0,0,0,0,2|1,0,0]=3 2672 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,0,0,0,0,2|1,0,0]=3 2673 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,0,0,0,0,2|1,0,0]=3 2674 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,0,0,0,0,2|1,0,0]=3 2675 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,0,0,0,0,2|1,0,0]=3 2676 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,0,0,0,0,2|1,0,0]=3 2677 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,0,0,0,0,2|1,0,0]=3 2678 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,0,0,0,0,2|1,0,0]=3 2679 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,0,0,0,0,2|1,0,0]=3 2680 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,0,0,0,0,2|1,0,0]=3 2681 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,0,0,0,0,2|1,0,0]=3 2682 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,0,0,0,0,2|1,0,0]=3 2683 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,0,0,0,0,2|1,0,0]=3 2684 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,0,0,0,0,2|1,0,0]=3 2685 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,0,0,0,0,2|2,0,0]=4 2686 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,0,0,0,0,2|2,0,0]=4 2687 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,0,0,0,0,2|2,0,0]=4 2688 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,0,0,0,0,2|2,0,0]=4 2689 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,0,0,0,0,2|2,0,0]=4 2690 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,0,0,0,0,2|1,0,0]=3 2691 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,0,0,0,0,2|1,0,0]=3 2692 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,0,0,0,0,2|1,0,0]=3 2693 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,2|1,0,1]=4 2694 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,2|1,0,1]=4 2695 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,0,0,0,0,2|1,0,0]=3 2696 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,0,0,0,0,2|1,0,0]=3 2697 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,0,0,0,0,2|1,0,0]=3 2698 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,0,0,0,0,2|1,0,0]=3 2699 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,2|1,0,1]=4 2700 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,0,0,0,0,2|0,0,0]=2 2701 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,0,0,0,0,2|0,0,0]=2 2702 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,0,0,0,0,2|0,0,0]=2 2703 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,0,0,0,0,2|0,0,0]=2 2704 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,0,0,0,0,2|0,0,0]=2 2705 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,2|1,0,1]=4 2706 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,2|1,0,1]=4 2707 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,0,0,0,2|1,0,1]=4 2708 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,0,0,0,2|1,0,1]=4 2709 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,0,0,0,2|1,0,1]=4 2710 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,0,0,0,0,2|1,0,1]=4 2711 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,0,0,0,0,2|1,0,1]=4 2712 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,0,0,0,0,2|1,0,1]=4 2713 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,0,0,0,0,2|1,0,1]=4