0 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|2,1,1]=4 43 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|2,1,1]=4 44 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|2,1,1]=4 48 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|2,1,1]=4 49 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|2,1,1]=4 50 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|2,1,1]=4 52 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|2,1,1]=4 53 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|4,0,0]=4 61 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|4,0,0]=4 64 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|4,0,0]=4 65 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|4,0,0]=4 77 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|4,0,0]=4 81 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 82 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 83 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|4,0,0]=4 85 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|4,0,0]=4 89 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|0,0,2]=3 90 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|0,0,2]=3 91 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|0,0,2]=3 102 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|0,0,2]=3 104 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|0,0,2]=3 105 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|0,0,2]=3 106 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|1,1,1]=4 143 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|1,1,1]=4 208 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|1,1,1]=4 209 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|1,1,1]=4 210 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|1,1,1]=4 222 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|1,1,1]=4 223 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|1,1,1]=4 226 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|1,1,1]=4 244 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|1,1,1]=4 245 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|1,1,1]=4 251 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,1,1]=4 252 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,1,1]=4 255 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,1,1]=4 256 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|0,1,2]=4 257 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|0,1,2]=4 258 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|0,1,2]=4 259 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|0,1,2]=4 260 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,1,1]=4 261 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,1,1]=4 276 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|1,0,2]=4 284 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|1,0,2]=4 285 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|1,0,2]=4 287 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|1,1,1]=4 308 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|1,1,1]=4 309 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|0,1,2]=4 317 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|0,1,2]=4 318 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 319 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|1,0,2]=4 320 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 321 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|0,1,2]=4 322 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|0,1,2]=4 323 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|0,1,2]=4 324 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|0,1,2]=4 325 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,1,1]=4 326 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|1,1,1]=4 330 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|1,1,1]=4 335 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|1,1,1]=4 336 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|1,1,1]=4 339 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|1,1,1]=4 340 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 342 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|1,1,1]=4 362 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|1,1,1]=4 363 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|1,1,1]=4 364 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|0,1,2]=4 365 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|1,1,1]=4 366 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|1,1,1]=4 367 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|1,1,1]=4 368 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|0,0,3]=4 371 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|0,0,3]=4 372 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|1,0,2]=4 373 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|1,0,2]=4 374 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|1,0,2]=4 375 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|1,0,2]=4 377 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|1,0,2]=4 392 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,1,0,0,0,0|3,0,0]=4 399 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,1,0,0,0,0|3,0,0]=4 400 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,1,0,0,0,0|3,0,0]=4 402 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|3,0,0]=4 404 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|3,0,0]=4 405 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,1,0,0,0,0|3,0,0]=4 408 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,0,0,0,0|3,0,0]=4 411 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,0,0,0,0|3,0,0]=4 413 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|3,0,0]=4 414 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|3,0,0]=4 415 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|1,0,2]=4 416 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|2,0,1]=4 417 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 418 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 419 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 420 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|3,0,0]=4 421 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 422 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|3,0,0]=4 423 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 424 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|3,0,0]=4 425 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|3,0,0]=4 426 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|3,0,0]=4 427 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|3,0,0]=4 428 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|1,0,2]=4 429 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,1]=4 430 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 431 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 432 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|3,0,0]=4 433 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|3,0,0]=4 434 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|3,0,0]=4 435 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 436 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 437 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 438 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 439 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 440 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 441 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|0,0,2]=4 442 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|0,0,2]=4 443 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|0,0,2]=4 444 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|0,0,2]=4 445 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|0,0,2]=4 446 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 448 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 449 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 453 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,1,1]=4 454 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,1,1]=4 455 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 456 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 457 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 458 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|1,0,1]=4 474 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,1]=4 483 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,2]=4 484 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 485 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,2]=4 486 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 487 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,2]=4 488 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,0,2]=4 499 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,0,2]=4 500 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,0,2]=4 501 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,0,2]=4 502 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,1,1]=4 507 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,1]=4 514 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,1]=4 515 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,1]=4 516 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,1]=4 518 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,1]=4 519 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|0,0,2]=4 525 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|0,0,2]=4 526 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,1,1]=4 532 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,1,1]=4 533 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,1,1]=4 534 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|0,0,2]=4 535 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|0,0,2]=4 536 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|0,0,2]=4 537 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|0,0,2]=4 538 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,2,0,0,0,0|1,0,1]=4 543 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|0,0,2]=4 544 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|0,0,2]=4 545 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 546 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 547 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|0,0,2]=4 548 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 549 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,1,0,1,0,0|1,0,1]=4