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=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|1,1,1]=3 26 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|1,1,1]=3 27 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|1,0,1]=2 44 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|1,1,1]=3 46 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|1,1,1]=3 47 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|3,0,0]=3 66 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|3,0,0]=3 67 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|4,0,0]=4 69 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|4,0,0]=4 71 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|4,0,0]=4 80 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 81 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 82 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|4,0,0]=4 85 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 90 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 91 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|4,0,0]=4 92 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|4,0,0]=4 93 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|0,0,1]=2 105 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|0,1,1]=3 106 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|0,1,1]=3 107 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|0,0,1]=2 120 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|0,0,1]=2 121 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|0,1,1]=3 122 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|0,1,1]=3 123 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,1,1]=4 149 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|1,1,1]=4 150 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|1,1,1]=4 151 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,0,0,0,0|1,0,2]=4 160 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|1,0,2]=4 172 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|1,1,1]=4 195 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|1,1,1]=4 208 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|1,1,1]=4 209 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|1,1,1]=4 238 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|1,1,1]=4 239 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|1,1,1]=4 240 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|1,1,1]=4 241 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|1,1,1]=4 242 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|1,1,1]=4 243 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|1,1,1]=4 244 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 257 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 272 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|1,1,1]=4 277 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|1,1,1]=4 278 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|3,0,0]=4 299 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|1,1,1]=4 302 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|1,1,1]=4 303 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 311 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 329 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 330 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|3,0,0]=4 335 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|3,0,0]=4 338 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|1,1,1]=4 344 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|2,0,0]=3 346 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|3,0,0]=4 359 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,0,2]=4 363 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 377 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|1,0,1]=3 385 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|1,0,1]=3 386 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|1,1,1]=4 387 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|1,0,0]=2 398 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|1,0,0]=2 399 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|1,1,0]=3 400 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|1,1,0]=3 401 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|1,0,2]=4 404 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|1,1,1]=4 405 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|1,1,1]=4 406 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|1,0,1]=3 408 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|1,1,1]=4 409 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|1,1,1]=4 410 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|1,0,0]=2 412 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|1,0,0]=2 413 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|1,0,2]=4 417 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 418 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|1,0,2]=4 419 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|0,0,0]=1 421 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|1,0,1]=3 422 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|1,0,1]=3 423 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|1,0,1]=3 424 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|0,0,2]=3 425 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|0,1,1]=3 426 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|0,1,1]=3 427 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|1,1,1]=4 428 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|1,1,1]=4 429 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|0,1,0]=2 430 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|0,1,0]=2 431 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|1,1,1]=4 432 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|1,1,1]=4 433 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|0,1,2]=4 434 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|0,1,2]=4 435 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|3,0,0]=4 437 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|1,0,1]=3 441 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|1,0,1]=3 442 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|1,1,1]=4 443 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|1,1,1]=4 444 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|1,0,1]=3 450 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|1,0,1]=3 451 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|1,1,1]=4 458 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|1,1,1]=4 459 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|1,0,2]=4 466 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|1,0,2]=4 468 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|1,0,2]=4 469 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|0,0,2]=3 470 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|0,1,2]=4 471 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|0,1,2]=4 472 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|1,1,1]=4 473 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|1,1,1]=4 474 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|1,1,1]=4 475 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|1,1,1]=4 476 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|0,1,1]=3 477 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|0,1,1]=3 478 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|0,1,1]=3 479 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|0,2,1]=4 480 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|0,2,1]=4 481 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 482 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,0,0,0,0|3,0,0]=4 486 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|1,0,1]=3 487 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|1,0,1]=3 488 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|1,1,1]=4 489 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|1,1,1]=4 490 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|1,0,1]=3 500 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|1,1,1]=4 502 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|1,1,1]=4 503 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,1,0,0,0,0|3,0,0]=4 505 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,1,0,0,0,0|3,0,0]=4 506 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,1,0,0,0,0|3,0,0]=4 508 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|3,0,0]=4 509 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|3,0,0]=4 510 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|3,0,0]=4 511 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,1,0,0,0,0|3,0,0]=4 512 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,1,0,0,0,0|3,0,0]=4 514 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|3,0,0]=4 515 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,0,0,0,0|3,0,0]=4 516 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,0,0,0,0|3,0,0]=4 517 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,0,0,0,0|3,0,0]=4 519 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|3,0,0]=4 521 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|3,0,0]=4 522 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|3,0,0]=4 523 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,1]=4 524 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|1,0,1]=3 525 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|1,1,1]=4 526 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 527 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 528 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|3,0,0]=4 529 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 530 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|3,0,0]=4 531 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 532 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|3,0,0]=4 533 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|3,0,0]=4 534 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|3,0,0]=4 535 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|3,0,0]=4 536 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|2,0,1]=4 537 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|1,1,1]=4 538 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 539 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 540 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|3,0,0]=4 541 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|3,0,0]=4 542 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|3,0,0]=4 543 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 544 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 545 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 546 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 547 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 548 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 549 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 550 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 551 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 552 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 553 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 554 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,0,1]=3 555 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,0,1]=3 556 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,0,1]=3 557 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|0,1,1]=4 558 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|0,1,1]=4 559 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|0,1,1]=4 560 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|0,1,1]=4 561 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,0,1]=4 562 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 563 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 564 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 565 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 567 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 568 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|0,0,2]=4 574 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 579 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 580 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 587 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|0,0,1]=3 589 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|0,0,1]=3 590 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,0,1]=3 591 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,0,2]=4 592 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,1]=3 598 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,1]=3 599 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,1]=3 600 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,1,1]=4 601 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,1,1]=4 602 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,1,1]=4 603 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,1,1]=4 604 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,0,2]=4 609 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,0,2]=4 610 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,0,2]=4 611 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|0,0,2]=4 612 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|0,0,1]=3 613 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|0,0,1]=3 614 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|0,0,1]=3 615 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,1]=3 616 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|0,0,1]=3 617 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|0,0,1]=3 618 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|0,0,1]=3 619 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|0,0,1]=3 620 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,0,2]=4 623 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,0,2]=4 624 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,0,2]=4 625 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,0,2]=4 626 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,0,2]=4 627 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,0,2]=4 628 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,1]=4 629 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|0,0,1]=3 630 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|0,0,1]=3 631 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|0,1,1]=4 632 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|0,1,1]=4 633 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,1]=4 635 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|0,0,1]=3 636 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|0,0,1]=3 637 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|0,1,1]=4 639 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|0,1,1]=4 640 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,2]=4 641 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,2]=4 642 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,0]=2 643 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,0]=2 644 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,0]=3 645 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 646 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 649 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,0]=3 651 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,0]=2 653 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 655 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 656 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 657 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,0]=3 659 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|1,0,1]=4 662 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|1,0,1]=4 663 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 664 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 665 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|2,0,0]=4 666 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|2,0,0]=4 667 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|2,0,0]=4 668 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|2,0,0]=4 669 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|2,0,0]=4 671 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|2,0,0]=4 672 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|2,0,0]=4 673 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|2,0,0]=4 678 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|2,0,0]=4 679 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|2,0,0]=4 680 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|2,0,0]=4 682 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|2,0,0]=4 683 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|2,0,0]=4 684 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|2,0,0]=4 685 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|2,0,0]=4 686 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|2,0,0]=4 689 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,1,0]=4 690 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,1,0]=4 691 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 692 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 693 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 694 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|2,0,0]=4 695 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|2,0,0]=4 696 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|2,0,0]=4 698 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|2,0,0]=4 699 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 700 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,1]=4 702 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|1,0,0]=3 704 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,0]=2 705 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 706 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 707 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 708 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,2]=4 709 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|0,1,1]=4 710 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|0,1,1]=4 711 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|0,1,1]=4 712 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|0,1,1]=4 713 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|0,1,1]=4 714 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,1,0]=3 715 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,1,0]=3 716 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,1,0]=4 719 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,1,0]=4 720 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|0,0,0]=2 750 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|0,0,0]=2 751 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|0,0,2]=4 760 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,0]=3 782 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|2,0,0]=4 785 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|2,0,0]=4 793 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|2,0,0]=4 795 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 798 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 805 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|1,0,0]=3 822 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|2,0,0]=4 825 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|2,0,0]=4 827 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|0,0,0]=2 830 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|0,0,0]=2 831 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|1,0,1]=4 837 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,2,0,0,0,0|0,1,1]=4 838 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,2,0,0,0,0|1,0,1]=4 839 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,2,0,0,0,0|1,0,1]=4 840 B7R0.3 C#CCOC(C)CF 34a_100016041109_100000184674 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.3 C#CCOC(C)CF 7a_100016041109_100000038162 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|0,0,1]=3 847 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|0,0,1]=3 848 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|0,0,1]=3 849 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|0,1,1]=4 850 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|2,0,0]=4 851 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 852 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 853 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 854 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|2,0,0]=4 858 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|2,0,0]=4 859 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 862 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|1,0,0]=3 864 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|1,0,0]=3 865 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|1,0,0]=3 866 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|1,0,0]=3 867 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,1,0]=4 868 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,1,0]=4 869 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|1,1,0]=4 870 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|1,1,0]=4 871 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|1,1,0]=4 872 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|1,1,0]=4 873 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|1,1,0]=4 874 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|0,0,1]=3 876 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,2,0,0,0,0|0,1,1]=4 877 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,2,0,0,0,0|0,1,1]=4 878 B7R0.3 CC(CF)OCC#N 7a_100016041109_100011215382 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|0,0,0]=2 880 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|0,0,0]=2 881 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 882 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 884 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 885 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|1,0,1]=4 886 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|0,0,0]=2 887 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 888 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 889 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,2,0,0,0,0|1,0,1]=4 890 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|0,1,0]=3 892 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|2,0,0]=4 893 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|1,0,0]=3 894 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,0]=2 896 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,0,1]=4 897 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|0,0,2]=4 900 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,1,0]=3 901 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,1,0]=3 902 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,0,1]=4 903 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,0,1]=4 904 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 905 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 906 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,0,1]=4 909 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 910 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|1,0,1]=4 911 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 912 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 913 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 914 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 915 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,0,1]=4 916 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,0,1]=4 917 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|1,0,1]=4 918 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|1,0,1]=4 919 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,2,0,0,0,0|1,0,1]=4 920 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|0,1,0]=3 921 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|0,1,0]=3 922 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|0,1,1]=4 923 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|0,1,1]=4 924 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|0,1,0]=3 926 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|0,1,0]=3 927 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|2,0,0]=4 928 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 933 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 935 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 936 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 937 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 938 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,1]=4 939 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|2,0,0]=4 940 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|2,0,0]=4 941 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,0,1]=4 943 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|1,0,0]=3 944 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|2,0,0]=4 945 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,1]=4 946 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,1]=4 948 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 951 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 952 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|2,0,0]=4 955 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|2,0,0]=4 958 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|2,0,0]=4 959 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|2,0,0]=4 960 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|2,0,0]=4 961 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|2,0,0]=4 962 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|2,0,0]=4 963 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 964 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 967 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,2,0,0,0,0|1,0,1]=4 968 B7R0.7 CC#CC(C)OCF 34a_100011216543_100015361967 [0,2,0,0,0,0|1,0,1]=4 969 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 971 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,1]=4 972 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 973 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 974 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 975 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 976 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,0,1]=4 978 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|1,0,1]=4 979 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|2,0,0]=4 984 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|1,0,1]=4 985 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|2,0,0]=4 986 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|2,0,0]=4 987 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 988 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 989 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 990 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 991 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,2,0,0,0,0|1,0,1]=4 993 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 994 B7R0.11 C#CC(C)(C)OCF 34a_100000189450_100015361967 [0,2,0,0,0,0|1,0,1]=4 995 B7R0.11 C#CC(C)(C)OCF 7a_100000189450_100015361967 [0,2,0,0,0,0|1,0,1]=4 996 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 997 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 998 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,2,0,0,0,0|1,0,1]=4 999 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,2,0,0,0,0|1,0,1]=4 1000 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|2,0,0]=4 1001 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|2,0,0]=4 1002 B7R0.11 CC(C)(C#N)OCF 34a_200015195151_100015361967 [0,2,0,0,0,0|1,0,1]=4 1003 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,2,0,0,0,0|1,0,1]=4 1004 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,2,0,0,0,0|1,0,1]=4 1005 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,2,0,0,0,0|1,0,1]=4 1006 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,2,0,0,0,0|1,0,1]=4 1007 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|1,0,1]=4 1008 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1009 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1010 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1011 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,2,0,0,0,0|1,0,1]=4 1012 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,2,0,0,0,0|2,0,0]=4 1013 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,2,0,0,0,0|2,0,0]=4 1014 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,2,0,0,0,0|2,0,0]=4 1015 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|1,0,1]=4 1016 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,2,0,0,0,0|1,0,1]=4 1017 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,2,0,0,0,0|1,0,1]=4 1018 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,2,0,0,0,0|1,0,1]=4 1019 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 1021 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 1022 B7R0.12 FCOC(CCl)CCl 7a_100000737055_100015361967 [0,2,0,0,0,0|1,0,1]=4 1023 B7R0.12 FCOC(CF)CF 34a_100000032261_100015361967 [0,2,0,0,0,0|1,0,1]=4 1024 B7R0.12 FCOC(CF)CF 7a_100000032261_100015361967 [0,2,0,0,0,0|1,0,1]=4 1025 B7R0.12 FCO[C@@H](CF)CCl 34a_100015614560_100015361967 [0,2,0,0,0,0|1,0,1]=4 1026 B7R0.12 FCO[C@@H](CF)CCl 7a_100015614560_100015361967 [0,2,0,0,0,0|1,0,1]=4 1027 B7R0.12 NCC(CN)OCF 34a_100000031598_100015361967 [0,2,0,0,0,0|1,0,1]=4 1028 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|1,0,0]=3 1029 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|1,0,0]=3 1030 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|1,1,0]=4 1032 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|1,1,0]=4 1033 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1034 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1035 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1036 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|1,0,0]=3 1037 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|1,0,0]=3 1038 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|1,0,0]=3 1039 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,2,0,0,0,0|1,0,1]=4 1040 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,2,0,0,0,0|1,0,1]=4 1041 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,2,0,0,0,0|1,0,1]=4 1042 B7R0.9 CC(C)OC(F)(F)F 34a_100000212225_200103152311 [0,2,0,0,0,0|1,0,1]=4 1043 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|1,1,0]=4 1045 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|2,0,0]=4 1046 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|2,0,0]=4 1047 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|1,0,0]=3 1048 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 1049 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 1050 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 1051 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 1052 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 1053 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|1,0,0]=3 1054 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|2,0,0]=4 1055 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|1,0,0]=3 1056 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,2,0,0,0,0|2,0,0]=4 1058 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|2,0,0]=4 1059 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|1,0,0]=3 1061 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|1,0,0]=3 1062 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|2,0,0]=4 1063 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 1065 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|2,0,0]=4 1068 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|2,0,0]=4 1069 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,2,0,0,0,0|1,0,1]=4 1073 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,2,0,0,0,0|1,0,1]=4 1074 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,2,0,0,0,0|1,0,1]=4 1075 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,2,0,0,0,0|1,0,1]=4 1076 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,0]=3 1078 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,0]=3 1079 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,1,0]=4 1080 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,1,0]=4 1081 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|0,0,2]=4 1082 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,0]=3 1086 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,0]=3 1087 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,2,0,0,0,0|1,1,0]=4 1088 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,2,0,0,0,0|1,1,0]=4 1089 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,2,0,0,0,0|2,0,0]=4 1090 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,2,0,0,0,0|1,0,0]=3 1095 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,2,0,0,0,0|1,0,0]=3 1096 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,2,0,0,0,0|2,0,0]=4 1097 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,2,0,0,0,0|2,0,0]=4 1098 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,2,0,0,0,0|2,0,0]=4 1099 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,2,0,0,0,0|2,0,0]=4 1100 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,2,0,0,0,0|2,0,0]=4 1101 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,2,0,0,0,0|1,1,0]=4 1102 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,2,0,0,0,0|1,1,0]=4 1103 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 1104 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,2,0,0,0,0|1,0,1]=4 1106 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|1,0,1]=4 1108 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,2,0,0,0,0|1,0,0]=3 1109 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 1110 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,2,0,0,0,0|1,0,0]=3 1112 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,2,0,0,0,0|1,0,0]=3 1113 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,2,0,0,0,0|0,0,0]=2 1114 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,2,0,0,0,0|1,0,1]=4 1117 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|0,0,2]=4 1118 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|0,1,0]=3 1119 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|0,1,0]=3 1120 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,2,0,0,0,0|1,0,1]=4 1121 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,2,0,0,0,0|1,0,1]=4 1122 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,2,0,0,0,0|1,0,1]=4 1123 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,2,0,0,0,0|1,0,1]=4 1124 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,2,0,0,0,0|1,0,1]=4 1125 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|0,0,2]=4 1126 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,2,0,0,0,0|1,0,1]=4 1127 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,2,0,0,0,0|1,0,1]=4 1128 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|0,0,2]=4 1129 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 1130 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 1131 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|0,1,1]=4 1132 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|0,1,1]=4 1133 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,2,0,0,0,0|0,1,1]=4 1134 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,2,0,0,0,0|0,1,1]=4 1135 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,2,0,0,0,0|2,0,0]=4 1137 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,2,0,0,0,0|1,1,0]=4 1139 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,2,0,0,0,0|1,1,0]=4 1140 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,2,0,0,0,0|2,0,0]=4 1141 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,2,0,0,0,0|2,0,0]=4 1142 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,0]=3 1143 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,1,0]=4 1144 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,1,0]=4 1145 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 1147 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,2,0,0,0,0|1,0,1]=4 1148 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,2,0,0,0,0|1,0,1]=4 1150 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|1,0,1]=4 1154 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 1155 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,2,0,0,0,0|0,0,2]=4 1156 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,2,0,0,0,0|1,0,1]=4 1157 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,2,0,0,0,0|1,0,1]=4 1158 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,2,0,0,0,0|0,1,1]=4 1159 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,2,0,0,0,0|0,1,1]=4 1160 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,2,0,0,0,0|2,0,0]=4 1161 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,2,0,0,0,0|2,0,0]=4 1162 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,2,0,0,0,0|1,0,1]=4 1163 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,2,0,0,0,0|1,0,1]=4 1164 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,2,0,0,0,0|1,0,1]=4 1165 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,2,0,0,0,0|1,0,1]=4 1166 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,2,0,0,0,0|1,0,1]=4 1167 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|0,0,2]=4 1168 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 1169 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|0,0,2]=4 1170 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|0,0,2]=4 1171 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 1172 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|0,1,1]=4 1173 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|0,1,1]=4 1174 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|0,1,1]=4 1175 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|0,1,1]=4 1176 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|0,1,1]=4 1177 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|0,1,1]=4 1178 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,2,0,0,0,0|1,0,0]=3 1179 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,2,0,0,0,0|1,0,0]=3 1180 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,2,0,0,0,0|1,1,0]=4 1181 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,2,0,0,0,0|1,1,0]=4 1182 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,2,0,0,0,0|2,0,0]=4 1183 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|1,0,0]=3 1186 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|1,0,0]=3 1187 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|1,1,0]=4 1188 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|1,1,0]=4 1189 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|1,0,0]=3 1192 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|1,0,0]=3 1193 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|1,1,0]=4 1194 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|1,1,0]=4 1195 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|1,0,1]=4 1196 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|1,0,0]=3 1197 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|1,0,1]=4 1198 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|1,0,1]=4 1199 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|1,0,0]=3 1200 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|1,0,0]=3 1201 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|2,0,0]=4 1202 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|2,0,0]=4 1203 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|2,0,0]=4 1204 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|0,0,0]=2 1206 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|0,0,0]=2 1207 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1208 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|0,1,0]=3 1209 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|1,0,0]=3 1213 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|2,0,0]=4 1215 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|1,0,0]=3 1217 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|1,0,0]=3 1219 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|1,0,0]=3 1221 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|1,0,0]=3 1222 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,2,0,0,0,0|1,0,1]=4 1223 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,2,0,0,0,0|1,0,1]=4 1224 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|1,0,0]=3 1225 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|1,0,0]=3 1226 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|1,0,0]=3 1227 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|1,0,0]=3 1228 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|1,0,0]=3 1229 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|0,0,0]=2 1231 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|0,0,0]=2 1232 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|0,0,0]=2 1233 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|0,0,2]=4 1240 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,2,0,0,0,0|0,0,1]=3 1241 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|0,1,0]=3 1242 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|0,1,0]=3 1243 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|0,1,0]=3 1244 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|0,1,0]=3 1245 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|0,1,0]=3 1246 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,2,0,0,0,0|0,1,1]=4 1247 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|0,0,2]=4 1249 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 1251 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 1252 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|2,0,0]=4 1253 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|2,0,0]=4 1254 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.8 C#CCOC(C)(C)C 34a_100000210247_100000210625 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.8 C#CCOC(C)(C)C 34a_100015890283_100000184674 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.8 C#CCOC(C)(C)C 7a_100015890283_100000038162 [0,2,0,0,0,0|1,0,1]=4 1258 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,2,0,0,0,0|2,0,0]=4 1259 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 1260 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|1,0,0]=3 1261 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 1262 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,2,0,0,0,0|1,1,0]=4 1263 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,2,0,0,0,0|1,1,0]=4 1264 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|1,0,0]=3 1265 B7R0.8 CC(C)(C)OCC#N 7a_100015890283_100011215382 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|0,0,0]=2 1267 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|0,0,0]=2 1268 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 1273 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 1274 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|0,1,0]=3 1275 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|0,1,0]=3 1276 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,2,0,0,0,0|2,0,0]=4 1278 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,2,0,0,0,0|1,0,1]=4 1281 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,2,0,0,0,0|1,0,1]=4 1283 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,2,0,0,0,0|1,0,1]=4 1284 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|1,0,1]=4 1285 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,2,0,0,0,0|0,1,1]=4 1286 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 1287 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 1288 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|0,0,1]=3 1289 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|0,1,1]=4 1290 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 1291 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|0,1,1]=4 1292 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1293 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|1,0,1]=4 1294 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1295 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|1,0,1]=4 1296 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 1297 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 1298 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,0,1]=4 1299 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,0,1]=4 1300 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|1,0,1]=4 1301 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|1,0,1]=4 1302 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,1,0,0|1,0,1]=4 1303 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,1,0,0|1,0,1]=4 1304 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|2,0,0]=4 1305 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 1306 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 1307 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,0]=3 1308 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,0]=3 1309 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,1,0,1,0,0|1,0,1]=4 1310 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,1,0,1,0,0|1,0,1]=4 1311 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|1,0,0]=3 1312 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|2,0,0]=4 1313 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|1,0,0]=3 1314 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|2,0,0]=4 1315 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|1,0,0]=3 1316 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|1,0,0]=3 1317 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|2,0,0]=4 1318 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|2,0,0]=4 1319 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|2,0,0]=4 1320 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 1321 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 1322 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,0]=3 1323 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,1,0,1,0,0|1,0,1]=4 1324 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|1,0,0]=3 1325 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,1,0,1,0,0|1,0,1]=4 1326 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,1,0,1,0,0|1,0,1]=4 1327 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,1,0,1,0,0|2,0,0]=4 1328 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,1,0,1,0,0|1,0,0]=3 1329 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,1,0,1,0,0|1,1,0]=4 1330 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,1,0,1,0,0|2,0,0]=4 1331 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,1,0,1,0,0|1,0,1]=4 1332 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,1,0,1,0,0|1,0,1]=4 1333 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,1,0,1,0,0|1,0,1]=4 1334 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,1,0,1,0,0|1,0,1]=4 1335 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,1,0,1,0,0|1,0,1]=4 1336 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,1,0,1,0,0|1,0,0]=3 1337 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|0,1,0]=3