0 B3R0.1 CCNC 2230a_100015525214_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B3R0.1 CCNC 2230a_106832991635_100000210202 [0,0,0,0,0,0|1,0,1]=2 2 B3R0.1 CCNC 34a_100102657272_100000210202 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.1 CCNC 7a_106832991635_100000210202 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.1 CCOC 34a_100121572206_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.1 CCOC 34a_100138415774_100000210202 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 CCSC 62a_100000210202_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 CCSC 62a_200000210301_100000210202 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.1 CNCF 34a_100102657272_100015361967 [0,0,0,0,0,0|2,0,1]=3 13 B3R0.1 CNCF 7a_106832991635_100015361967 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.1 COCF 34a_100138415774_100015361967 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.1 CSCF 62a_100015361967_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.1 CSCF 62a_200000210301_100015361967 [0,0,0,0,0,0|3,0,0]=3 17 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [0,0,0,0,0,0|3,0,0]=3 19 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|1,0,1]=3 20 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|1,0,1]=3 21 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|1,0,1]=3 22 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|1,0,1]=3 23 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|1,0,1]=3 24 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|1,0,1]=3 25 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|2,0,0]=3 26 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|2,0,0]=3 27 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,1,0,0,0,0|1,0,2]=4 32 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,1,0,0,0,0|1,0,2]=4 33 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,1,0,0,0,0|1,0,2]=4 34 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,1,0,0,0,0|1,0,2]=4 35 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,1,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|1,0,0]=2 44 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,1,0,0,0,0|1,0,1]=3 50 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,1,0,0,0,0|1,0,1]=3 51 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,1,0,0,0,0|2,0,0]=3 54 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,1,0,0,0,0|2,0,0]=3 55 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,1,0,0,0,0|2,0,0]=3 56 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,1,0,0,0,0|1,0,1]=3 57 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,1,0,0,0,0|1,0,1]=3 58 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,1,0,0,0,0|1,0,1]=3 60 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,1,0,0,0,0|1,0,1]=3 61 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,1,0,0,0,0|2,0,0]=3 63 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,1,0,0,0,0|2,0,0]=3 65 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|2,0,0]=3 66 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,1,0,0,0,0|2,0,0]=3 67 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,1,0,0,0,0|2,0,0]=3 69 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,1,0,0,0,0|2,0,0]=3 70 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,1,0,0,0,0|2,0,0]=3 73 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,1,0,0,0,0|2,0,0]=3 74 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,1,0,0,0,0|2,0,0]=3 77 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,1,0,0,0,0|2,0,0]=3 80 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,1,0,0,0,0|2,0,0]=3 82 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,1,0,0,0,0|2,0,0]=3 83 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,1,0,0,0,0|2,0,0]=3 84 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,1,0,0,0,0|2,0,0]=3 85 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,1,0,0,0,0|2,0,0]=3 87 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,1,0,0,0,0|2,0,0]=3 88 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,1,0,0,0,0|1,0,1]=3 89 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,1,0,0,0,0|1,0,1]=3 90 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,1,0,0,0,0|1,0,1]=3 91 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,1,0,0,0,0|1,0,1]=3 92 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,1,0,0,0,0|1,0,1]=3 93 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,1,0,0,0,0|1,0,1]=3 94 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,1,0,0,0,0|1,1,0]=3 95 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,1,0,0,0,0|1,1,0]=3 96 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,1,0,0,0,0|1,1,0]=3 97 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,1,0,0,0,0|1,1,0]=3 98 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,1,0,0,0,0|1,0,1]=3 99 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,1,0,0,0,0|2,0,0]=3 100 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,1,0,0,0,0|2,0,0]=3 102 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,1,0,0,0,0|2,0,0]=3 105 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,1,0,0,0,0|2,0,0]=3 106 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,1,0,0,0,0|1,0,0]=2 107 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,1,0,0,0,0|1,0,0]=2 108 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,1,0,0,0,0|1,0,0]=2 109 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,1,0,0,0,0|1,0,1]=3 110 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,1,0,0,0,0|1,0,1]=3 111 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,1,0,0,0,0|1,0,1]=3 112 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,1,0,0,0,0|1,0,1]=3 113 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,1,0,0,0,0|1,0,1]=3 114 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,1,0,0,0,0|1,0,1]=3 115 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,1,0,0,0,0|1,0,1]=3 116 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,1,0,0,0,0|1,0,1]=3 117 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,1,0,0,0,0|1,0,1]=3 118 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,1,0,0,0,0|1,0,1]=3 119 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,1,0,0,0,0|1,0,1]=3 121 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,1,0,0,0,0|1,0,0]=2 122 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.2 COCCF 34a_100138415774_100011217306 [0,1,0,0,0,0|2,0,0]=3 124 B4R0.2 COCCN 34a_100000210304_200000210301 [0,1,0,0,0,0|2,0,0]=3 125 B4R0.2 COCCO 34a_100138415774_100000211926 [0,1,0,0,0,0|1,0,1]=3 126 B4R0.2 COCSC 34a_100138415774_100011218213 [0,1,0,0,0,0|2,0,0]=3 127 B4R0.2 COCSC 62a_100000766300_200000210301 [0,1,0,0,0,0|2,0,0]=3 128 B4R0.2 COCSC 62a_200000210301_100000766300 [0,1,0,0,0,0|2,0,0]=3 129 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,1,0,0,0,0|2,0,0]=3 130 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,1,0,0,0,0|2,0,0]=3 131 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,1,0,0,0,0|2,0,0]=3 133 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,1,0,0,0,0|1,0,0]=2 134 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,1,0,0,0,0|1,0,0]=2 135 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,1,0,0,0,0|2,0,0]=3 137 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,1,0,0,0,0|1,0,1]=3 138 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,1,0,0,0,0|1,0,1]=3 139 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,1,0,0,0,0|2,0,0]=3 140 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,1,0,0,0,0|2,0,0]=3 141 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,1,0,0,0,0|2,0,0]=3 143 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,1,0,0,0,0|3,0,0]=4 144 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,1,0,0,0,0|1,0,1]=3 145 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,1,0,0,0,0|1,0,1]=3 146 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,1,0,0,0,0|1,0,1]=3 147 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,1,0,0,0,0|2,0,0]=3 148 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,1,0,0,0,0|2,0,0]=3 149 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,1,0,0,0,0|2,0,0]=3 151 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,1,0,0,0,0|1,0,0]=2 152 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,1,0,0,0,0|1,0,0]=2 153 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,1,0,0,0,0|2,0,0]=3 154 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,1,0,0,0,0|1,0,1]=3 157 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,1,0,0,0,0|0,0,1]=3 158 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,1,0,0,0,0|0,0,1]=3 159 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,1,0,0,0,0|1,0,1]=4 160 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,1,0,0,0,0|1,0,1]=4 161 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,1,0,0,0,0|1,0,1]=4 162 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,2,0,0,0,0|1,0,1]=4 164 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,2,0,0,0,0|1,0,1]=4 165 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,2,0,0,0,0|1,0,1]=4 166 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,2,0,0,0,0|2,0,0]=4 168 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,2,0,0,0,0|2,0,0]=4 169 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 172 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,2,0,0,0,0|1,0,1]=4 173 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 174 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,2,0,0,0,0|2,0,0]=4 177 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,2,0,0,0,0|2,0,0]=4 178 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,2,0,0,0,0|2,0,0]=4 180 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,2,0,0,0,0|2,0,0]=4 181 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,2,0,0,0,0|2,0,0]=4 182 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,2,0,0,0,0|2,0,0]=4 183 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,2,0,0,0,0|2,0,0]=4 184 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,2,0,0,0,0|2,0,0]=4 185 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,2,0,0,0,0|2,0,0]=4 187 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,2,0,0,0,0|2,0,0]=4 188 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,2,0,0,0,0|2,0,0]=4 189 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,2,0,0,0,0|2,0,0]=4 190 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,2,0,0,0,0|2,0,0]=4 191 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,2,0,0,0,0|1,0,1]=4 192 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,2,0,0,0,0|1,0,1]=4 193 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,2,0,0,0,0|1,0,1]=4 194 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,2,0,0,0,0|2,0,0]=4 195 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,2,0,0,0,0|2,0,0]=4 196 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,2,0,0,0,0|2,0,0]=4 197 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,2,0,0,0,0|2,0,0]=4 199 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,2,0,0,0,0|2,0,0]=4 200 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,2,0,0,0,0|1,0,1]=4 201 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,2,0,0,0,0|1,0,1]=4 202 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,2,0,0,0,0|1,0,1]=4 203 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,2,0,0,0,0|1,0,1]=4 204 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,2,0,0,0,0|1,0,0]=3 205 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|1,0,0]=3 206 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|1,0,0]=3 207 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,2,0,0,0,0|1,0,1]=4 209 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,2,0,0,0,0|1,0,1]=4 210 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,2,0,0,0,0|1,0,1]=4 211 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,2,0,0,0,0|1,0,1]=4 212 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,2,0,0,0,0|1,1,0]=4 213 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,2,0,0,0,0|1,1,0]=4 214 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,2,0,0,0,0|1,0,1]=4 215 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,2,0,0,0,0|2,0,0]=4 216 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,2,0,0,0,0|2,0,0]=4 217 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,2,0,0,0,0|2,0,0]=4 218 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,2,0,0,0,0|1,0,1]=4 219 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,2,0,0,0,0|1,0,1]=4 220 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|1,0,1]=4 221 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,2,0,0,0,0|1,0,1]=4 222 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,2,0,0,0,0|1,0,1]=4 223 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,2,0,0,0,0|1,0,1]=4 224 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,2,0,0,0,0|1,0,1]=4 225 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,2,0,0,0,0|1,0,0]=3 226 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,2,0,0,0,0|1,0,0]=3 227 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,2,0,0,0,0|1,0,0]=3 228 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,2,0,0,0,0|1,0,1]=4 229 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,2,0,0,0,0|1,0,1]=4 230 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,2,0,0,0,0|1,0,1]=4 231 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,2,0,0,0,0|1,0,1]=4 232 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,2,0,0,0,0|1,0,1]=4 233 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,2,0,0,0,0|1,0,1]=4 234 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,2,0,0,0,0|0,0,1]=3 235 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,2,0,0,0,0|0,0,1]=3 236 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,2,0,0,0,0|0,0,1]=3 237 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,2,0,0,0,0|1,0,1]=4 238 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,2,0,0,0,0|1,0,1]=4 239 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,2,0,0,0,0|1,0,1]=4 240 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,2,0,0,0,0|2,0,0]=4 241 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,2,0,0,0,0|2,0,0]=4 242 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,2,0,0,0,0|2,0,0]=4 243 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,2,0,0,0,0|2,0,0]=4 244 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,2,0,0,0,0|2,0,0]=4 245 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,2,0,0,0,0|2,0,0]=4 246 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,2,0,0,0,0|2,0,0]=4 247 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,2,0,0,0,0|1,0,0]=3 248 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,2,0,0,0,0|1,0,0]=3 249 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,2,0,0,0,0|1,0,1]=4 250 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,2,0,0,0,0|1,0,1]=4 251 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,2,0,0,0,0|1,0,1]=4 252 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,2,0,0,0,0|1,0,1]=4 253 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,2,0,0,0,0|1,0,1]=4 254 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,2,0,0,0,0|1,0,1]=4 255 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,2,0,0,0,0|2,0,0]=4 256 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,2,0,0,0,0|1,0,1]=4 257 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,2,0,0,0,0|1,0,1]=4 258 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,2,0,0,0,0|1,0,0]=3 259 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,2,0,0,0,0|1,0,0]=3 260 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,2,0,0,0,0|1,0,0]=3 261 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|1,0,0]=3 263 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,2,0,0,0,0|1,0,0]=3 264 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,2,0,0,0,0|1,0,1]=4 265 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,2,0,0,0,0|1,0,1]=4 266 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,2,0,0,0,0|1,0,1]=4 267 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,2,0,0,0,0|1,0,1]=4 268 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,2,0,0,0,0|1,0,1]=4 269 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,2,0,0,0,0|1,0,1]=4 270 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,2,0,0,0,0|1,0,1]=4 271 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,2,0,0,0,0|1,0,1]=4 272 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,2,0,0,0,0|1,0,1]=4 273 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,2,0,0,0,0|1,0,1]=4 274 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,2,0,0,0,0|1,0,1]=4 275 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,2,0,0,0,0|1,0,1]=4 276 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,2,0,0,0,0|1,0,1]=4 277 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,2,0,0,0,0|1,0,1]=4 278 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,2,0,0,0,0|1,0,1]=4 279 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,2,0,0,0,0|1,0,1]=4 280 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,2,0,0,0,0|1,0,1]=4 281 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,2,0,0,0,0|1,0,1]=4 282 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,2,0,0,0,0|0,0,1]=3 283 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,2,0,0,0,0|1,0,1]=4 284 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|1,0,0]=3 285 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|1,0,0]=3 286 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,2,0,0,0,0|1,0,0]=3 289 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,2,0,0,0,0|1,0,1]=4 293 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,2,0,0,0,0|2,0,0]=4 295 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,2,0,0,0,0|1,0,1]=4 297 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,2,0,0,0,0|1,0,1]=4 298 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,2,0,0,0,0|1,0,1]=4 299 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,2,0,0,0,0|1,0,1]=4 300 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,2,0,0,0,0|1,0,1]=4 301 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,2,0,0,0,0|0,0,1]=3 302 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,2,0,0,0,0|1,0,0]=3 303 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,2,0,0,0,0|1,0,0]=3 304 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,2,0,0,0,0|1,0,0]=3 305 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,2,0,0,0,0|1,0,0]=3 306 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,2,0,0,0,0|1,0,0]=3 307 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,2,0,0,0,0|1,0,0]=3 308 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,2,0,0,0,0|1,1,0]=4 309 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,2,0,0,0,0|1,1,0]=4 310 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,2,0,0,0,0|1,0,1]=4 311 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,2,0,0,0,0|2,0,0]=4 313 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,2,0,0,0,0|2,0,0]=4 314 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,2,0,0,0,0|1,0,1]=4 315 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,2,0,0,0,0|1,0,1]=4 318 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,2,0,0,0,0|0,0,1]=3 319 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,2,0,0,0,0|1,0,1]=4 320 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,2,0,0,0,0|1,0,1]=4 321 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,2,0,0,0,0|1,0,1]=4 322 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,2,0,0,0,0|1,0,1]=4 323 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,2,0,0,0,0|1,0,1]=4 324 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|1,0,0]=3 325 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,2,0,0,0,0|1,0,0]=3 326 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|1,0,0]=3 327 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,2,0,0,0,0|1,0,1]=4 328 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,2,0,0,0,0|2,0,0]=4 329 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,2,0,0,0,0|1,0,0]=3 330 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,2,0,0,0,0|1,0,0]=3 331 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,2,0,0,0,0|1,0,0]=3 332 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,2,0,0,0,0|1,0,0]=3 333 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,2,0,0,0,0|2,0,0]=4 334 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,2,0,0,0,0|0,0,1]=3 336 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,2,0,0,0,0|1,0,0]=3 337 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,2,0,0,0,0|2,0,0]=4 338 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,2,0,0,0,0|1,0,1]=4 339 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,2,0,0,0,0|1,0,1]=4 341 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,2,0,0,0,0|1,0,1]=4 342 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,2,0,0,0,0|1,0,1]=4 343 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,2,0,0,0,0|2,0,0]=4 344 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,2,0,0,0,0|2,0,0]=4 345 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,2,0,0,0,0|2,0,0]=4 346 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,2,0,0,0,0|2,0,0]=4 347 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,2,0,0,0,0|1,0,0]=3 351 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,2,0,0,0,0|2,0,0]=4 352 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,2,0,0,0,0|2,0,0]=4 353 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,2,0,0,0,0|2,0,0]=4 354 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,2,0,0,0,0|2,0,0]=4 355 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,2,0,0,0,0|2,0,0]=4 356 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,2,0,0,0,0|2,0,0]=4 357 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,2,0,0,0,0|1,0,1]=4 359 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,2,0,0,0,0|2,0,0]=4 363 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,2,0,0,0,0|2,0,0]=4 364 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|2,0,0]=4 365 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,2,0,0,0,0|1,0,1]=4 366 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,2,0,0,0,0|1,0,0]=3 367 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,2,0,0,0,0|1,0,0]=3 371 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,2,0,0,0,0|1,0,0]=3 373 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,2,0,0,0,0|1,0,1]=4 374 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,2,0,0,0,0|1,0,1]=4 375 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,2,0,0,0,0|1,0,1]=4 376 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,2,0,0,0,0|1,0,1]=4 377 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,2,0,0,0,0|1,0,1]=4 378 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,2,0,0,0,0|1,0,1]=4 380 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,2,0,0,0,0|1,1,0]=4 382 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,2,0,0,0,0|1,1,0]=4 383 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,2,0,0,0,0|1,1,0]=4 384 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,2,0,0,0,0|1,1,0]=4 385 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,2,0,0,0,0|1,0,1]=4 386 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,2,0,0,0,0|1,0,1]=4 387 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,2,0,0,0,0|1,0,1]=4 388 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,2,0,0,0,0|1,0,1]=4 389 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,2,0,0,0,0|1,0,1]=4 390 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,2,0,0,0,0|1,0,1]=4 391 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,2,0,0,0,0|1,0,1]=4 392 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,2,0,0,0,0|1,0,1]=4 393 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|2,0,0]=4 395 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|2,0,0]=4 396 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,2,0,0,0,0|2,0,0]=4 397 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,2,0,0,0,0|2,0,0]=4 398 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,2,0,0,0,0|2,0,0]=4 399 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,2,0,0,0,0|1,0,1]=4 400 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,2,0,0,0,0|1,0,1]=4 401 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,2,0,0,0,0|1,0,1]=4 403 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,2,0,0,0,0|1,0,1]=4 404 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,2,0,0,0,0|1,0,1]=4 405 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,2,0,0,0,0|1,0,1]=4 406 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,2,0,0,0,0|2,0,0]=4 408 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,2,0,0,0,0|2,0,0]=4 409 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,2,0,0,0,0|2,0,0]=4 410 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,2,0,0,0,0|2,0,0]=4 412 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,2,0,0,0,0|2,0,0]=4 413 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,2,0,0,0,0|2,0,0]=4 414 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,2,0,0,0,0|2,0,0]=4 415 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,2,0,0,0,0|2,0,0]=4 416 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,2,0,0,0,0|2,0,0]=4 417 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,2,0,0,0,0|1,0,1]=4 418 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,2,0,0,0,0|2,0,0]=4 419 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,2,0,0,0,0|2,0,0]=4 420 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,2,0,0,0,0|1,0,1]=4 421 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,2,0,0,0,0|1,0,1]=4 422 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,2,0,0,0,0|1,0,1]=4 423 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,2,0,0,0,0|1,0,1]=4 424 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,2,0,0,0,0|1,0,1]=4 425 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|2,0,0]=4 426 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,2,0,0,0,0|2,0,0]=4 427 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,2,0,0,0,0|2,0,0]=4 428 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,2,0,0,0,0|1,0,1]=4 429 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,2,0,0,0,0|2,0,0]=4 430 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,2,0,0,0,0|2,0,0]=4 431 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,2,0,0,0,0|2,0,0]=4 433 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,2,0,0,0,0|1,0,1]=4 434 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,2,0,0,0,0|1,0,1]=4 435 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,2,0,0,0,0|2,0,0]=4 436 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,2,0,0,0,0|2,0,0]=4 437 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,2,0,0,0,0|2,0,0]=4 438 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,2,0,0,0,0|2,0,0]=4 439 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,2,0,0,0,0|2,0,0]=4 440 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,2,0,0,0,0|2,0,0]=4 441 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,2,0,0,0,0|1,0,1]=4 442 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,2,0,0,0,0|1,0,0]=3 444 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,2,0,0,0,0|1,0,0]=3 445 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,2,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,2,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,2,0,0,0,0|2,0,0]=4 450 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,2,0,0,0,0|2,0,0]=4 451 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|1,0,0]=3 452 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 453 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,2,0,0,0,0|1,0,1]=4 455 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,2,0,0,0,0|1,0,1]=4 456 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,2,0,0,0,0|1,0,1]=4 457 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,2,0,0,0,0|1,0,1]=4 458 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,2,0,0,0,0|1,0,0]=3 459 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|1,0,0]=3 460 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 461 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|2,0,0]=4 462 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,2,0,0,0,0|1,0,1]=4 463 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,2,0,0,0,0|1,0,1]=4 465 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,2,0,0,0,0|1,0,1]=4 466 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,2,0,0,0,0|1,0,1]=4 467 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,2,0,0,0,0|2,0,0]=4 468 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,2,0,0,0,0|2,0,0]=4 469 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,2,0,0,0,0|2,0,0]=4 470 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,2,0,0,0,0|2,0,0]=4 471 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,2,0,0,0,0|2,0,0]=4 472 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,2,0,0,0,0|2,0,0]=4 473 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,2,0,0,0,0|2,0,0]=4 474 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,2,0,0,0,0|1,0,1]=4 475 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,2,0,0,0,0|1,0,1]=4 476 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [0,2,0,0,0,0|2,0,0]=4 477 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,2,0,0,0,0|2,0,0]=4 478 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,2,0,0,0,0|2,0,0]=4 479 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,2,0,0,0,0|2,0,0]=4 480 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,2,0,0,0,0|2,0,0]=4 481 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,2,0,0,0,0|2,0,0]=4 482 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,2,0,0,0,0|1,0,1]=4 483 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,2,0,0,0,0|1,0,1]=4 484 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,2,0,0,0,0|2,0,0]=4 485 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,2,0,0,0,0|2,0,0]=4 486 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,2,0,0,0,0|2,0,0]=4 488 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,2,0,0,0,0|2,0,0]=4 489 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,2,0,0,0,0|2,0,0]=4 491 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,2,0,0,0,0|1,0,1]=4 492 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,2,0,0,0,0|1,0,1]=4 493 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,2,0,0,0,0|1,0,1]=4 494 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,2,0,0,0,0|1,0,1]=4 495 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,2,0,0,0,0|1,0,1]=4 496 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,2,0,0,0,0|2,0,0]=4 497 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,2,0,0,0,0|2,0,0]=4 498 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,2,0,0,0,0|2,0,0]=4 499 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,2,0,0,0,0|2,0,0]=4 500 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,2,0,0,0,0|2,0,0]=4 501 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,2,0,0,0,0|2,0,0]=4 502 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,2,0,0,0,0|2,0,0]=4 503 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,2,0,0,0,0|1,0,1]=4 504 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,2,0,0,0,0|1,0,1]=4 505 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,2,0,0,0,0|2,0,0]=4 506 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,2,0,0,0,0|2,0,0]=4 507 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,2,0,0,0,0|2,0,0]=4 508 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,2,0,0,0,0|2,0,0]=4 509 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,2,0,0,0,0|2,0,0]=4 510 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,2,0,0,0,0|2,0,0]=4 511 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,2,0,0,0,0|2,0,0]=4 512 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,2,0,0,0,0|1,0,1]=4 513 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,2,0,0,0,0|1,0,1]=4 514 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,2,0,0,0,0|1,0,1]=4 515 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,2,0,0,0,0|1,0,1]=4 516 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,2,0,0,0,0|1,0,1]=4 517 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,2,0,0,0,0|1,0,1]=4 518 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,2,0,0,0,0|1,0,1]=4 519 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,2,0,0,0,0|2,0,0]=4 520 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,2,0,0,0,0|2,0,0]=4 521 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,2,0,0,0,0|2,0,0]=4 522 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,2,0,0,0,0|2,0,0]=4 523 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,2,0,0,0,0|2,0,0]=4 524 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,2,0,0,0,0|2,0,0]=4 525 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,2,0,0,0,0|2,0,0]=4 526 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,2,0,0,0,0|1,0,1]=4 527 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,2,0,0,0,0|1,0,1]=4 528 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,2,0,0,0,0|1,0,1]=4 529 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,2,0,0,0,0|2,0,0]=4 530 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,2,0,0,0,0|2,0,0]=4 531 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,2,0,0,0,0|2,0,0]=4 532 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,2,0,0,0,0|2,0,0]=4 533 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,2,0,0,0,0|2,0,0]=4 534 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,2,0,0,0,0|1,0,0]=3 535 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,2,0,0,0,0|1,0,1]=4 536 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,2,0,0,0,0|1,0,1]=4 537 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,2,0,0,0,0|1,0,1]=4 538 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,2,0,0,0,0|1,0,1]=4 539 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,2,0,0,0,0|1,0,1]=4 540 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,2,0,0,0,0|1,0,1]=4 541 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,2,0,0,0,0|1,0,1]=4 542 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,2,0,0,0,0|1,0,1]=4 543 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,2,0,0,0,0|1,0,1]=4 544 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,2,0,0,0,0|1,0,1]=4 545 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,2,0,0,0,0|1,0,1]=4 546 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,2,0,0,0,0|1,0,1]=4 547 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,2,0,0,0,0|1,1,0]=4 548 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,2,0,0,0,0|1,1,0]=4 549 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,2,0,0,0,0|1,1,0]=4 550 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,2,0,0,0,0|1,1,0]=4 551 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,2,0,0,0,0|1,0,1]=4 552 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,2,0,0,0,0|1,0,1]=4 553 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,2,0,0,0,0|1,0,1]=4 554 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,2,0,0,0,0|1,0,1]=4 555 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,2,0,0,0,0|1,1,0]=4 556 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,2,0,0,0,0|1,1,0]=4 557 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,2,0,0,0,0|1,1,0]=4 558 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,2,0,0,0,0|1,1,0]=4 559 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,2,0,0,0,0|1,0,1]=4 560 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,2,0,0,0,0|0,0,1]=3 561 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,2,0,0,0,0|1,0,1]=4 562 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,2,0,0,0,0|1,0,1]=4 563 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,2,0,0,0,0|0,0,2]=4 564 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,2,0,0,0,0|0,0,2]=4 565 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,2,0,0,0,0|0,0,2]=4 566 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,2,0,0,0,0|0,0,2]=4 567 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,2,0,0,0,0|0,1,1]=4 568 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,2,0,0,0,0|1,0,0]=3 569 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,2,0,0,0,0|2,0,0]=4 570 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,2,0,0,0,0|2,0,0]=4 571 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,2,0,0,0,0|2,0,0]=4 572 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,2,0,0,0,0|1,0,1]=4 573 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,2,0,0,0,0|1,1,0]=4 574 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,2,0,0,0,0|1,1,0]=4 575 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,2,0,0,0,0|1,1,0]=4 576 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,2,0,0,0,0|1,1,0]=4 577 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,2,0,0,0,0|1,1,0]=4 578 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,2,0,0,0,0|2,0,0]=4 579 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,2,0,0,0,0|2,0,0]=4 580 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,2,0,0,0,0|1,0,0]=3 581 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,2,0,0,0,0|1,0,0]=3 582 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,2,0,0,0,0|2,0,0]=4 583 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,2,0,0,0,0|2,0,0]=4 584 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,2,0,0,0,0|1,0,1]=4 585 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,2,0,0,0,0|1,0,1]=4 586 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,2,0,0,0,0|1,0,1]=4 587 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,2,0,0,0,0|1,0,1]=4 588 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,2,0,0,0,0|1,1,0]=4 589 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,2,0,0,0,0|1,1,0]=4 590 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,2,0,0,0,0|1,0,1]=4 591 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,2,0,0,0,0|1,0,1]=4 592 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,2,0,0,0,0|1,0,1]=4 593 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,2,0,0,0,0|1,0,1]=4 594 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,2,0,0,0,0|1,0,1]=4 595 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,2,0,0,0,0|1,0,1]=4 596 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,2,0,0,0,0|1,0,1]=4 597 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,2,0,0,0,0|1,0,1]=4 598 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,2,0,0,0,0|1,0,1]=4 599 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,2,0,0,0,0|1,0,1]=4 600 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,2,0,0,0,0|1,0,1]=4 601 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,2,0,0,0,0|1,0,1]=4 602 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,2,0,0,0,0|1,0,1]=4 603 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,2,0,0,0,0|1,0,1]=4 604 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,2,0,0,0,0|1,0,1]=4 605 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,2,0,0,0,0|1,0,1]=4 606 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,2,0,0,0,0|1,0,1]=4 607 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,2,0,0,0,0|1,0,1]=4 608 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,2,0,0,0,0|1,0,1]=4 609 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,2,0,0,0,0|1,0,1]=4 610 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,2,0,0,0,0|1,0,1]=4 611 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,2,0,0,0,0|1,0,1]=4 612 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,2,0,0,0,0|1,0,1]=4 613 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,2,0,0,0,0|1,0,1]=4 614 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,2,0,0,0,0|1,0,1]=4 615 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,2,0,0,0,0|1,0,1]=4 616 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,2,0,0,0,0|1,0,1]=4 617 B5R0.2 COCCON 34a_100000700252_200000210301 [0,2,0,0,0,0|1,0,1]=4 618 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,2,0,0,0,0|1,0,1]=4 619 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,2,0,0,0,0|1,0,1]=4 620 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,2,0,0,0,0|1,0,1]=4 621 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,2,0,0,0,0|1,0,1]=4 622 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,2,0,0,0,0|1,0,1]=4 623 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,2,0,0,0,0|1,0,1]=4 624 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,2,0,0,0,0|1,0,1]=4 625 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,2,0,0,0,0|1,0,1]=4 626 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,2,0,0,0,0|2,0,0]=4 627 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,2,0,0,0,0|2,0,0]=4 628 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,2,0,0,0,0|2,0,0]=4 629 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,2,0,0,0,0|2,0,0]=4 630 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,2,0,0,0,0|1,1,0]=4 631 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,2,0,0,0,0|1,1,0]=4 632 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,2,0,0,0,0|1,0,1]=4 633 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,2,0,0,0,0|1,0,1]=4 634 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,2,0,0,0,0|1,0,1]=4 635 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,2,0,0,0,0|1,0,1]=4 636 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,2,0,0,0,0|1,0,1]=4 637 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,2,0,0,0,0|1,1,0]=4 638 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,2,0,0,0,0|1,1,0]=4 639 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,2,0,0,0,0|1,1,0]=4 640 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,2,0,0,0,0|1,1,0]=4 641 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,2,0,0,0,0|2,0,0]=4 642 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,2,0,0,0,0|2,0,0]=4 643 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,2,0,0,0,0|2,0,0]=4 644 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,2,0,0,0,0|2,0,0]=4 645 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,2,0,0,0,0|1,0,1]=4 646 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,2,0,0,0,0|2,0,0]=4 647 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,2,0,0,0,0|2,0,0]=4 648 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,2,0,0,0,0|2,0,0]=4 649 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,2,0,0,0,0|2,0,0]=4 650 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,2,0,0,0,0|2,0,0]=4 651 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,2,0,0,0,0|2,0,0]=4 652 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,2,0,0,0,0|1,0,0]=3 653 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,2,0,0,0,0|1,0,0]=3 654 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,2,0,0,0,0|1,0,1]=4 655 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,2,0,0,0,0|1,0,1]=4 656 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,2,0,0,0,0|1,0,1]=4 657 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,2,0,0,0,0|1,0,1]=4 658 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,2,0,0,0,0|1,0,1]=4 659 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,2,0,0,0,0|1,0,1]=4 660 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,2,0,0,0,0|1,0,1]=4 661 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,2,0,0,0,0|1,0,1]=4 662 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,2,0,0,0,0|1,0,1]=4 663 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,2,0,0,0,0|1,0,1]=4 664 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,2,0,0,0,0|2,0,0]=4 665 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,2,0,0,0,0|2,0,0]=4 666 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,2,0,0,0,0|1,1,0]=4 667 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,2,0,0,0,0|1,1,0]=4 668 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,2,0,0,0,0|1,0,1]=4 669 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,2,0,0,0,0|1,0,1]=4 670 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,2,0,0,0,0|2,0,0]=4 671 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,2,0,0,0,0|2,0,0]=4 672 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,1,0,1,0,0|1,0,1]=4 673 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,1,0,1,0,0|1,0,1]=4 674 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,1,0,1,0,0|1,0,1]=4 675 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,1,0,1,0,0|1,0,1]=4 676 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,1,0,1,0,0|1,0,1]=4 677 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,1,0,1,0,0|1,1,0]=4 678 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,1,0,1,0,0|1,0,1]=4 679 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,1,0,1,0,0|1,1,0]=4