0 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,0,0,0,0|0,0,2]=2 14 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|0,0,4]=4 30 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|1,0,3]=4 31 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,0,0,0,0|1,0,3]=4 33 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,0,0,0,0|1,0,3]=4 35 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,0,0,0,0|1,0,3]=4 36 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,2]=3 86 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,2]=3 87 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,3]=4 93 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,3]=4 94 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,3]=4 95 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,0]=2 122 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,0]=2 124 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,0]=2 125 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,0]=2 127 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,0,2]=4 144 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,1,0,0,0,0|1,0,2]=4 202 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,0,0,0,0|1,0,2]=4 203 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|0,0,3]=4 205 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,0,0,0,0|1,0,2]=4 206 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|0,0,3]=4 210 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|0,0,2]=3 211 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|0,0,2]=3 212 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|0,0,2]=3 213 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|0,0,2]=3 214 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|1,0,0]=2 217 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|0,0,0]=1 224 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|0,0,0]=1 225 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|0,0,0]=1 226 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|0,0,0]=1 227 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|0,0,0]=1 228 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|0,0,0]=1 230 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|0,0,3]=4 232 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|0,0,2]=3 233 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|0,0,2]=3 234 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,2]=4 235 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,2]=4 237 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|0,0,2]=3 257 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|0,0,2]=3 262 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|0,0,2]=3 263 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|0,0,2]=3 264 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|1,0,2]=4 272 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|0,0,2]=3 280 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|0,0,2]=3 281 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|0,0,2]=3 282 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|0,0,2]=3 283 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|0,0,2]=3 284 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|0,0,2]=3 285 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|0,0,2]=3 286 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|0,0,2]=3 287 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|0,0,2]=3 288 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|1,0,2]=4 321 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|1,0,2]=4 322 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|1,0,2]=4 333 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|1,0,2]=4 334 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|1,0,2]=4 337 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|1,0,2]=4 338 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|1,0,2]=4 341 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|1,0,2]=4 342 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|1,0,1]=3 364 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|1,0,1]=3 366 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|1,0,1]=3 367 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|1,0,1]=3 384 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|1,0,1]=3 389 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|1,0,1]=3 390 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|1,0,1]=3 395 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|1,0,1]=3 396 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|2,0,1]=4 398 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|1,0,1]=3 400 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|1,0,1]=3 401 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|1,0,1]=3 402 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|2,0,1]=4 403 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|2,0,1]=4 404 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|2,0,1]=4 405 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,1]=4 406 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|1,0,2]=4 408 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|1,0,2]=4 409 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 410 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|1,0,1]=3 411 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|1,0,1]=3 414 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|1,0,1]=3 415 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|1,0,1]=3 416 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|1,0,1]=3 417 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|1,0,1]=3 419 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|1,0,2]=4 421 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|0,0,2]=3 422 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,2]=4 423 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|1,0,2]=4 424 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|1,0,2]=4 425 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,0]=3 426 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,0,0,0,0|1,0,2]=4 427 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,0,0,0,0|1,0,2]=4 428 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,0,0,0,0|1,0,2]=4 429 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,0,0,0,0|1,0,2]=4 430 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|0,0,2]=3 431 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|1,0,2]=4 432 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|1,0,2]=4 433 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,1]=3 434 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,1]=3 435 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,0,1]=3 440 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|3,0,0]=4 444 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,1]=3 445 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,1]=3 446 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,1]=3 447 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|0,0,1]=2 454 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|0,0,1]=2 455 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,1]=4 459 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 462 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 466 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|3,0,0]=4 467 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 468 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|3,0,0]=4 469 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 471 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 472 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|3,0,0]=4 475 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|3,0,0]=4 478 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|3,0,0]=4 479 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|3,0,0]=4 486 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|3,0,0]=4 490 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|3,0,0]=4 498 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|3,0,0]=4 501 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|3,0,0]=4 502 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|3,0,0]=4 503 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|2,0,0]=3 507 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,1,0,0,0,0|2,0,0]=3 509 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,1,0,0,0,0|2,0,0]=3 510 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,1,0,0,0,0|2,0,0]=3 511 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,1,0,0,0,0|2,0,1]=4 518 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,1,0,0,0,0|2,0,1]=4 520 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,1,0,0,0,0|0,0,2]=3 521 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,1,0,0,0,0|0,0,2]=3 522 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,1,0,0,0,0|0,0,2]=3 523 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,1,0,0,0,0|0,0,2]=3 524 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,1,0,0,0,0|0,0,2]=3 525 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,1,0,0,0,0|0,0,2]=3 526 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,1,0,0,0,0|0,0,0]=1 527 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,1,0,0,0,0|0,0,0]=1 528 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,1,0,0,0,0|0,0,0]=1 529 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,1,0,0,0,0|0,0,0]=1 530 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,1,0,0,0,0|1,0,0]=2 531 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,1,0,0,0,0|1,0,0]=2 532 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,1,0,0,0,0|1,0,0]=2 533 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|1,0,0]=2 534 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,1,0,0,0,0|1,0,2]=4 535 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,1,0,0,0,0|1,0,2]=4 536 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,1,0,0,0,0|1,0,2]=4 537 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,1,0,0,0,0|1,0,2]=4 538 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,1,0,0,0,0|0,0,2]=3 539 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,1,0,0,0,0|0,0,2]=3 540 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,1,0,0,0,0|0,1,2]=4 541 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,1,0,0,0,0|0,1,2]=4 542 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,1,0,0,0,0|0,1,2]=4 543 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,1,0,0,0,0|0,1,2]=4 544 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,1,0,0,0,0|1,0,1]=3 545 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,1,0,0,0,0|2,0,1]=4 550 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,1,0,0,0,0|2,0,1]=4 551 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,1,0,0,0,0|2,0,1]=4 561 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,1,0,0,0,0|2,0,1]=4 567 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|2,0,1]=4 568 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|1,0,2]=4 569 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|1,0,2]=4 570 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 571 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,0,2]=4 572 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,1]=4 573 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,1]=4 574 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,1]=4 575 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,1]=4 576 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,1]=4 577 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|2,0,1]=4 578 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|2,0,1]=4 579 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|2,0,1]=4 580 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|2,0,1]=4 581 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|2,0,1]=4 582 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|2,0,1]=4 583 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|2,0,1]=4 584 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|2,0,1]=4 585 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|2,0,1]=4 586 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|2,0,1]=4 587 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|2,0,1]=4 588 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,0,0,1,0,0|2,0,1]=4 589 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,0,0,1,0,0|2,0,1]=4 590 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,0,0,1,0,0|2,0,1]=4 591 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,0,0,1,0,0|2,0,1]=4 592 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 593 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 594 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 595 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 596 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 597 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 598 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 599 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 600 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 601 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 602 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 603 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 604 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 605 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 606 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 607 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 608 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 609 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 610 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 611 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,1]=4 613 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 616 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|1,0,1]=4 629 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|1,0,1]=4 631 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,2]=4 632 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,2]=4 634 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 635 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 636 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 638 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 639 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 640 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|0,0,2]=4 641 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|0,0,2]=4 642 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|0,0,2]=4 643 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 645 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 646 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|1,0,1]=4 647 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|1,0,1]=4 648 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|0,0,1]=3 651 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,0,1]=3 652 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,0,1]=3 653 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,0,1]=3 654 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,2]=4 655 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,2]=4 656 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,1]=4 657 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 658 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 659 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|1,0,1]=4 660 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|1,0,1]=4 661 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|1,0,1]=4 662 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|1,0,1]=4 663 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,1]=4 664 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 665 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 666 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,1]=4 667 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 668 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,1]=4 669 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 670 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|0,0,1]=3 671 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|0,0,1]=3 672 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|0,0,1]=3 673 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|0,0,1]=3 674 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|0,0,1]=3 675 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 678 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 679 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|0,0,1]=3 680 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|0,0,1]=3 681 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|0,0,1]=3 682 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|1,0,1]=4 685 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,0,1]=3 687 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 688 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 689 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,1]=4 690 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,0,1]=3 692 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|1,0,1]=4 693 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|1,0,1]=4 694 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,0,1]=3 695 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,0,1]=3 696 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 698 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,0,1]=3 699 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,0,1]=3 700 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 702 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,0,1]=3 703 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,0,1]=3 704 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|0,0,2]=4 705 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|0,0,2]=4 706 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|0,0,2]=4 707 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,1]=4 708 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 709 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 711 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 712 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,2]=4 713 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,2]=4 714 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|1,0,1]=4 715 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|1,0,1]=4 716 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,1]=3 719 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,1]=3 720 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|1,0,1]=4 721 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 722 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,1]=3 723 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,1]=3 724 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 725 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,1,0,0,0,0|0,0,2]=4 726 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,1,0,0,0,0|0,0,2]=4 727 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,1,0,0,0,0|0,0,2]=4 728 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,1,0,0,0,0|0,0,2]=4 729 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,1,0,0,0,0|0,0,2]=4 730 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|0,0,2]=4 731 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|0,0,2]=4 732 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|0,0,2]=4 733 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|0,0,2]=4 734 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|0,0,2]=4 735 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|0,0,2]=4 736 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|0,0,2]=4 737 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,1,0,0,0,0|0,0,2]=4 738 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,1,0,0,0,0|0,0,2]=4 739 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|0,0,2]=4 740 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|0,0,2]=4 741 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,1,0,0,0,0|0,0,2]=4 742 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,0]=3 743 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,0]=3 744 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|1,0,0]=3 745 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|1,0,0]=3 746 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|1,0,0]=3 748 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|1,0,0]=3 749 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|1,0,0]=3 750 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|1,0,0]=3 751 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|0,0,0]=2 752 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|0,0,0]=2 753 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|0,0,0]=2 754 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|0,0,0]=2 755 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|0,0,0]=2 756 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|0,0,0]=2 757 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|0,0,0]=2 758 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|0,0,0]=2 759 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|0,0,0]=2 760 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|0,0,0]=2 761 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|0,0,0]=2 762 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|0,0,0]=2 763 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|0,0,0]=2 764 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|0,0,0]=2 765 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|0,0,0]=2 766 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|0,0,0]=2 767 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,0]=3 768 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|0,0,0]=2 769 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|0,0,0]=2 770 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|1,0,0]=3 771 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|1,0,0]=3 772 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 773 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,0]=3 774 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 775 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|1,0,0]=3 776 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|1,0,0]=3 777 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|1,0,0]=3 778 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|1,0,0]=3 779 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|1,0,0]=3 780 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|0,0,2]=4 782 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|0,0,2]=4 783 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|0,0,2]=4 784 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|0,0,2]=4 785 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|0,0,2]=4 786 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|0,0,2]=4 787 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|0,0,2]=4 788 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 789 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,2]=4 790 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 791 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 792 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 793 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,0,2]=4 794 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,0,2]=4 795 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,0,2]=4 796 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,0,2]=4 797 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|0,0,2]=4 798 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|0,0,2]=4 799 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|0,0,2]=4 800 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 801 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|0,0,2]=4 802 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|0,0,2]=4 803 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 805 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|1,0,0]=3 807 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,0,1]=4 808 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,0,1]=4 809 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|1,0,1]=4 811 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|1,0,1]=4 812 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|1,0,1]=4 813 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|1,0,0]=3 815 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 816 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 817 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|1,0,1]=4 822 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|1,0,1]=4 823 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|1,0,1]=4 824 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,1,0,0,0,0|1,0,1]=4 825 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|1,0,0]=3 827 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|1,0,0]=3 828 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 829 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 830 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|1,0,1]=4 831 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 832 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|1,0,1]=4 833 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|1,0,1]=4 834 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|1,0,1]=4 835 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|1,0,1]=4 836 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,1,0,0,0,0|1,0,1]=4 837 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,1,0,0,0,0|1,0,1]=4 838 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 839 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 840 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,0,1]=4 842 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 843 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|1,0,1]=4 844 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|1,0,1]=4 845 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|1,0,1]=4 846 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,1]=4 847 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,1]=4 848 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,1]=4 849 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,1]=4 850 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|1,0,1]=4 851 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|1,0,1]=4 852 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|1,0,1]=4 853 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|1,0,1]=4 854 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,1]=4 855 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,1]=4 856 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,1]=4 858 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 859 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|1,0,1]=4 860 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,1]=4 861 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|1,0,1]=4 862 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|1,0,1]=4 863 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|1,0,1]=4 865 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,1]=4 868 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,1]=4 869 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 870 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,1]=4 871 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,1]=4 872 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|1,0,1]=4 873 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|1,0,1]=4 874 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,1]=4 875 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,1]=4 876 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|1,0,1]=4 877 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|1,0,1]=4 878 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|1,0,1]=4 879 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 880 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 881 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|1,0,1]=4 883 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|1,0,1]=4 884 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|1,0,1]=4 885 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|2,0,0]=4 886 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|2,0,0]=4 887 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 888 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 889 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,1]=4 890 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,1]=4 891 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,1]=4 892 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 893 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|2,0,0]=4 894 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|1,0,1]=4 896 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,1]=4 898 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|1,0,1]=4 899 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|0,0,2]=4 901 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 902 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 903 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 904 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 905 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 906 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 907 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 908 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|0,0,2]=4 910 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 912 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|0,0,2]=4 913 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|0,0,2]=4 914 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|0,0,2]=4 915 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|0,0,2]=4 916 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|0,0,2]=4 917 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|0,0,2]=4 918 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,0]=3 919 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,0]=3 920 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,0]=3 921 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|0,0,0]=2 923 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,1]=4 925 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|0,0,2]=4 927 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|0,0,2]=4 928 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|0,0,2]=4 929 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|0,0,2]=4 930 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|1,0,1]=4 931 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 934 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,1]=4 937 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|0,0,1]=3 938 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|0,0,1]=3 939 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|0,0,1]=3 940 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|0,0,2]=4 941 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|0,0,2]=4 942 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|1,0,1]=4 943 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,2,0,0,0,0|1,0,1]=4 945 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,2,0,0,0,0|1,0,1]=4 946 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,2,0,0,0,0|1,0,1]=4 948 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|2,0,0]=4 951 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|0,0,2]=4 952 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|0,0,2]=4 954 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 955 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|0,0,2]=4 957 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,2,0,0,0,0|0,0,2]=4 958 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|0,0,2]=4 959 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|0,0,2]=4 960 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|0,0,2]=4 961 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|0,0,2]=4 962 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|0,0,2]=4 963 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|0,0,2]=4 964 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|0,0,2]=4 965 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|0,0,2]=4 966 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|0,0,2]=4 967 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|0,0,2]=4 968 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|0,0,2]=4 969 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|0,0,2]=4 970 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,2,0,0,0,0|0,0,2]=4 971 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 972 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 973 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,0]=3 975 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|1,0,1]=4 976 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,0]=3 977 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|1,0,0]=3 978 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,0]=3 979 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|1,0,0]=3 980 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|1,0,1]=4 982 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,0]=3 983 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|1,0,0]=3 984 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|1,0,0]=3 985 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|1,0,0]=3 986 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|1,0,0]=3 987 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|0,0,0]=2 988 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|0,0,0]=2 989 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|0,0,0]=2 990 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|0,0,0]=2 991 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,2,0,0,0,0|0,0,0]=2 992 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,2,0,0,0,0|0,0,0]=2 993 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|0,0,2]=4 994 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|0,0,2]=4 995 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|0,0,2]=4 996 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|0,0,2]=4 997 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|2,0,0]=4 998 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 999 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 1000 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1001 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1002 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1003 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1004 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1005 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1006 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 1007 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 1008 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 1009 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,0]=3 1010 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1011 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|2,0,0]=4 1012 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|2,0,0]=4 1013 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 1015 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 1016 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1017 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1018 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,2,0,0,0,0|1,0,1]=4 1021 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,0]=3 1022 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,0]=3 1023 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|2,0,0]=4 1024 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|2,0,0]=4 1025 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|2,0,0]=4 1026 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|2,0,0]=4 1027 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,0]=3 1029 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|1,0,0]=3 1030 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|0,0,2]=4 1031 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|0,0,2]=4 1032 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 1033 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|1,0,1]=4 1034 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|0,0,2]=4 1035 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|1,0,1]=4 1036 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|1,0,1]=4 1038 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|1,0,1]=4 1039 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|0,0,2]=4 1040 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|0,0,2]=4 1041 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|0,0,2]=4 1042 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|0,0,2]=4 1043 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|0,0,2]=4 1044 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|1,0,1]=4 1045 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|1,0,1]=4 1047 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|1,0,1]=4 1048 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|0,0,2]=4 1049 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|1,0,1]=4 1052 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|0,0,2]=4 1053 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|0,0,2]=4 1054 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|1,0,1]=4 1055 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|1,0,1]=4 1056 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,0,1]=4 1057 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 1058 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|1,0,1]=4 1059 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|1,0,1]=4 1060 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,2,0,0,0,0|1,0,1]=4 1061 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,2,0,0,0,0|1,0,1]=4 1062 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,2,0,0,0,0|1,0,1]=4 1064 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,2,0,0,0,0|1,0,1]=4 1065 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,2,0,0,0,0|1,0,1]=4 1066 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,2,0,0,0,0|0,0,2]=4 1067 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|0,0,2]=4 1068 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|0,0,2]=4 1069 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,0,2]=4 1070 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|0,0,2]=4 1071 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|1,0,0]=3 1072 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,2,0,0,0,0|0,0,2]=4 1073 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,2,0,0,0,0|0,0,2]=4 1074 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|0,0,2]=4 1075 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|0,0,2]=4 1076 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|0,0,2]=4 1077 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|0,0,2]=4 1078 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|0,0,2]=4 1079 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,1]=4 1080 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,1]=4 1081 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 1086 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 1088 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 1091 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|0,0,2]=4 1092 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|0,0,2]=4 1093 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|0,0,2]=4 1094 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|0,0,2]=4 1095 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|0,0,2]=4 1096 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|2,0,0]=4 1097 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|1,0,1]=4 1099 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|1,0,1]=4 1100 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|1,0,1]=4 1101 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|0,0,1]=3 1102 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|0,0,1]=3 1103 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|1,0,1]=4 1104 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|2,0,0]=4 1106 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|2,0,0]=4 1107 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 1108 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 1109 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,1]=4 1110 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|2,0,0]=4 1112 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|2,0,0]=4 1114 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|2,0,0]=4 1115 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,1]=4 1121 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,1]=4 1124 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|2,0,0]=4 1128 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|2,0,0]=4 1129 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|0,0,2]=4 1131 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|0,0,2]=4 1132 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,1]=4 1133 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,1]=4 1134 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 1135 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 1136 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,1]=4 1137 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,1]=4 1139 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|2,0,0]=4 1141 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1142 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,0]=3 1143 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|0,0,2]=4 1145 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|0,0,2]=4 1146 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|0,0,2]=4 1147 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,2]=4 1148 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,2]=4 1149 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|0,0,2]=4 1150 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|0,0,2]=4 1151 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1152 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1153 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1154 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1155 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1156 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1157 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1158 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1159 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1160 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1161 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1162 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1163 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1166 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1167 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1168 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1169 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1170 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1171 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1172 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1173 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1174 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 1176 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|1,0,0]=3 1177 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|1,0,0]=3 1178 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|0,0,2]=4 1179 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|0,0,2]=4 1180 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|0,0,2]=4 1181 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|0,0,2]=4 1182 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|0,0,2]=4 1183 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|0,0,2]=4 1184 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|0,0,2]=4 1185 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|0,0,2]=4 1186 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|0,0,2]=4 1187 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,2]=4 1188 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|0,0,2]=4 1189 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|0,0,2]=4 1190 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|0,0,2]=4 1191 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|0,0,2]=4 1192 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|0,0,2]=4 1193 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|0,0,2]=4 1194 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|0,0,2]=4 1195 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|0,0,2]=4 1196 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|0,0,2]=4 1197 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|0,0,2]=4 1198 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|0,0,2]=4 1199 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|0,0,2]=4 1200 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,2,0,0,0,0|0,0,2]=4 1201 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,2,0,0,0,0|0,0,2]=4 1202 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|0,0,2]=4 1203 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|0,0,2]=4 1204 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|0,0,2]=4 1205 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|0,0,2]=4 1206 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|0,0,2]=4 1207 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|0,0,2]=4 1208 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|0,0,2]=4 1209 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,2,0,0,0,0|0,0,2]=4 1210 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,2,0,0,0,0|0,0,2]=4 1211 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|0,0,2]=4 1212 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|0,0,2]=4 1213 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|0,0,2]=4 1214 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|0,0,2]=4 1215 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|0,0,2]=4 1216 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|0,0,2]=4 1217 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,2,0,0,0,0|0,0,2]=4 1218 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,2,0,0,0,0|0,0,2]=4 1219 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,2,0,0,0,0|0,0,2]=4 1221 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|0,0,2]=4 1222 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,0]=3 1225 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|0,0,2]=4 1226 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|0,0,2]=4 1227 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,0]=3 1228 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|1,0,1]=4 1229 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 1231 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1237 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1238 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|0,0,1]=3 1241 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|0,0,1]=3 1249 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|0,0,1]=3 1250 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|1,0,0]=3 1253 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|1,0,0]=3 1254 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,2,0,0,0,0|2,0,0]=4 1256 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,2,0,0,0,0|1,0,0]=3 1257 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,2,0,0,0,0|1,0,0]=3 1258 B7R0.11 C=CC(F)(F)SCF 62a_100009814244_100015361967 [0,2,0,0,0,0|2,0,0]=4 1259 B7R0.11 C=CC(F)(F)SCF 62a_100015361967_100009814244 [0,2,0,0,0,0|2,0,0]=4 1260 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|2,0,0]=4 1261 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|2,0,0]=4 1262 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,2,0,0,0,0|1,1,0]=4 1263 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,2,0,0,0,0|1,1,0]=4 1264 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,2,0,0,0,0|1,1,0]=4 1265 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,2,0,0,0,0|1,1,0]=4 1266 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,2,0,0,0,0|1,1,0]=4 1267 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,2,0,0,0,0|0,0,2]=4 1268 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,2,0,0,0,0|0,0,2]=4 1269 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,2,0,0,0,0|0,0,2]=4 1270 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,2,0,0,0,0|0,0,2]=4 1271 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|0,0,2]=4 1272 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|0,0,2]=4 1273 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|0,0,2]=4 1274 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|0,0,2]=4 1275 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|0,0,2]=4 1276 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|0,0,2]=4 1277 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|0,0,2]=4 1278 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|0,0,2]=4 1279 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,2,0,0,0,0|1,0,0]=3 1280 B7R0.12 C=CC(C=C)OCF 34a_100000033096_100015361967 [0,2,0,0,0,0|0,0,2]=4 1281 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|0,0,0]=2 1282 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|0,0,0]=2 1283 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,2,0,0,0,0|0,0,0]=2 1284 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,2,0,0,0,0|0,0,0]=2 1285 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|0,0,0]=2 1286 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|0,0,0]=2 1287 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|0,0,0]=2 1288 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|0,0,0]=2 1289 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|0,0,1]=3 1290 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|0,0,1]=3 1291 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|0,0,1]=3 1292 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|0,0,1]=3 1293 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|1,0,0]=3 1298 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,2,0,0,0,0|0,0,0]=2 1299 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,2,0,0,0,0|0,0,0]=2 1300 B7R0.12 C=C[C@@H](CO)NCF 34a_100016989147_100015361967 [0,2,0,0,0,0|1,0,0]=3 1301 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,2,0,0,0,0|0,0,2]=4 1302 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,2,0,0,0,0|0,0,2]=4 1303 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,2,0,0,0,0|0,0,2]=4 1304 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,2,0,0,0,0|0,0,2]=4 1305 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|0,0,2]=4 1306 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|0,0,2]=4 1307 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|0,0,2]=4 1308 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,2,0,0,0,0|0,0,2]=4 1309 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|0,0,2]=4 1313 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|0,0,2]=4 1314 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|0,0,2]=4 1315 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|0,0,2]=4 1316 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|0,0,2]=4 1317 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|0,0,2]=4 1318 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1319 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1320 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1322 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|0,0,2]=4 1323 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|0,0,2]=4 1324 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|0,0,2]=4 1325 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|0,0,2]=4 1326 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|0,0,2]=4 1333 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|0,0,2]=4 1335 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,2,0,0,0,0|1,0,1]=4 1336 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,2,0,0,0,0|1,0,1]=4 1337 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|1,0,1]=4 1338 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,0,1]=4 1339 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,0,1]=4 1354 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,2,0,0,0,0|1,0,1]=4 1355 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.13 C=CC(F)(F)N(C)C 269982a_100102631434_100009814244 [0,2,0,0,0,0|2,0,0]=4 1359 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|1,0,1]=4 1360 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|0,0,1]=3 1362 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|0,0,1]=3 1363 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|0,0,2]=4 1366 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|0,0,2]=4 1367 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|0,0,2]=4 1368 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|0,0,2]=4 1369 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|0,0,0]=2 1370 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|0,0,0]=2 1371 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|0,0,0]=2 1372 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|0,0,0]=2 1373 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|1,0,0]=3 1374 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|1,0,0]=3 1375 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|1,0,1]=4 1381 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|1,0,1]=4 1382 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|1,0,1]=4 1383 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1384 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 1385 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1386 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|2,0,0]=4 1387 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 1388 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1389 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|0,0,1]=3 1391 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|1,0,0]=3 1392 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|0,0,1]=3 1393 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|0,0,2]=4 1394 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|0,0,2]=4 1395 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|0,0,2]=4 1396 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|0,0,2]=4 1397 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|1,1,0]=4 1398 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|1,1,0]=4 1399 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|1,1,0]=4 1400 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|1,1,0]=4 1401 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|2,0,0]=4 1422 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1423 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|0,0,2]=4 1425 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|0,0,1]=3 1427 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|0,0,1]=3 1429 B7R0.18 C#CC(C)(C=C)OC 34a_100000033310_200000210301 [0,2,0,0,0,0|0,0,2]=4 1430 B7R0.18 C#CC(C)(C=C)OC 7a_100000033310_200000210301 [0,2,0,0,0,0|0,0,2]=4 1431 B7R0.18 C#CC(C)(C=C)O[13CH3] 34a_100000033310_200025704644 [0,2,0,0,0,0|0,0,2]=4 1432 B7R0.18 C#CC(C)(C=C)O[13CH3] 7a_100000033310_200025704644 [0,2,0,0,0,0|0,0,2]=4 1433 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,2,0,0,0,0|0,0,2]=4 1434 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,2,0,0,0,0|0,0,2]=4 1435 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,2,0,0,0,0|0,0,2]=4 1436 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,2,0,0,0,0|0,0,2]=4 1437 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|0,0,2]=4 1440 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|0,0,2]=4 1441 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,1,0,1,0,0|2,0,0]=4 1442 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1443 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|1,0,1]=4 1444 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|1,0,1]=4 1445 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|1,0,1]=4 1446 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|1,0,1]=4 1447 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|1,0,1]=4 1448 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|1,0,1]=4 1449 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|1,0,1]=4 1450 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|0,0,2]=4 1451 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|0,0,2]=4 1452 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|0,0,2]=4 1453 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|1,0,1]=4 1454 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|1,0,1]=4 1455 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|1,0,1]=4 1456 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|1,0,1]=4 1457 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|1,0,1]=4 1458 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|1,0,1]=4 1459 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|1,0,1]=4 1460 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,1,0,0|1,0,1]=4 1461 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,1,0,0|1,0,1]=4 1462 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,1,0,0|1,0,1]=4 1463 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,1,0,0|1,0,1]=4 1464 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,1,0,0|1,0,1]=4 1465 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,1,0,0|1,0,1]=4 1466 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,1,0,1,0,0|1,0,1]=4 1467 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,1,0,1,0,0|1,0,1]=4 1468 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1469 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|1,0,1]=4 1470 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|1,0,1]=4 1471 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|1,0,1]=4 1472 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|0,0,2]=4 1473 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|0,0,2]=4 1474 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|1,0,1]=4 1475 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|1,0,1]=4 1476 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|1,0,1]=4 1477 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|1,0,1]=4 1478 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|1,0,1]=4 1479 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|1,0,1]=4 1480 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,1,0,0|1,0,1]=4 1481 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,1,0,0|1,0,1]=4 1482 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,1,0,0|1,0,1]=4 1483 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,1,0,0|1,0,1]=4 1484 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,1,0,0|1,0,1]=4 1485 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,1,0,0|1,0,1]=4 1486 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,1,0,1,0,0|1,0,1]=4 1487 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,1,0,1,0,0|1,0,1]=4 1488 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|0,0,2]=4 1489 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|0,0,2]=4 1490 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|0,0,2]=4 1491 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,1,0,0|1,0,1]=4 1492 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|0,0,2]=4 1493 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|0,0,2]=4 1494 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1495 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1496 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1497 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1498 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1499 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1500 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,0,2]=4 1501 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|0,0,2]=4 1502 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|0,0,2]=4 1503 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,1,0,0|1,0,1]=4 1504 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,1,0,0|1,0,1]=4 1505 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,1,0,0|1,0,1]=4 1506 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|2,0,0]=4 1507 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|0,0,2]=4 1508 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|0,0,2]=4 1509 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|0,0,2]=4 1510 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|0,0,2]=4 1511 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|0,0,2]=4 1512 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|0,0,2]=4 1513 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|0,0,2]=4 1514 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|0,0,2]=4 1515 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|0,0,2]=4 1516 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|0,0,2]=4 1517 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|0,0,2]=4 1518 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|0,0,2]=4 1519 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|0,0,2]=4 1520 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|0,0,2]=4 1521 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|2,0,0]=4 1522 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|2,0,0]=4 1523 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|1,0,0]=3 1524 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|1,1,0]=4 1525 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|1,1,0]=4 1526 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|1,1,0]=4 1527 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|1,1,0]=4 1528 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 1529 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 1530 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|0,0,2]=4 1531 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|0,0,2]=4 1532 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|0,0,2]=4 1533 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|0,0,2]=4 1534 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|0,0,2]=4 1535 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|0,0,2]=4 1536 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|1,0,1]=4 1537 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|1,0,1]=4 1538 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|1,0,1]=4 1539 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|1,0,1]=4 1540 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|0,0,1]=3 1541 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|1,0,1]=4 1542 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|0,0,1]=3 1543 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|1,0,1]=4 1544 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,1]=4 1545 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|0,0,1]=3 1546 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|1,0,1]=4 1547 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,1]=4 1548 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|0,0,1]=3 1549 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,1,0,1,0,0|1,0,1]=4