0 B2R0.1 CNC 2230a_106832991635_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B2R0.1 CNC 34a_100102657272_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B2R0.1 CNC 7a_106832991635_200000210301 [0,0,0,0,0,0|2,0,0]=2 3 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B2R0.1 COC 34a_100138415774_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [0,0,0,0,0,0|2,0,0]=2 8 B2R0.1 CSC 62a_200000210301_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.1 CCNC 2230a_100015525214_200000210301 [0,1,0,0,0,0|1,0,0]=2 13 B3R0.1 CCNC 2230a_106832991635_100000210202 [0,1,0,0,0,0|1,0,0]=2 14 B3R0.1 CCNC 34a_100102657272_100000210202 [0,1,0,0,0,0|1,0,0]=2 15 B3R0.1 CCNC 7a_106832991635_100000210202 [0,1,0,0,0,0|1,0,0]=2 16 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [0,1,0,0,0,0|1,0,0]=2 17 B3R0.1 CCOC 34a_100121572206_200000210301 [0,1,0,0,0,0|0,0,0]=1 18 B3R0.1 CCOC 34a_100138415774_100000210202 [0,1,0,0,0,0|0,0,0]=1 19 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [0,1,0,0,0,0|0,0,0]=1 20 B3R0.1 CCSC 62a_100000210202_200000210301 [0,1,0,0,0,0|0,1,0]=2 21 B3R0.1 CCSC 62a_200000210301_100000210202 [0,1,0,0,0,0|0,1,0]=2 22 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [0,1,0,0,0,0|0,1,0]=2 23 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [0,1,0,0,0,0|0,1,0]=2 24 B3R0.1 CNCF 34a_100102657272_100015361967 [0,1,0,0,0,0|1,0,0]=2 25 B3R0.1 CNCF 7a_106832991635_100015361967 [0,1,0,0,0,0|1,0,0]=2 26 B3R0.1 COCF 34a_100138415774_100015361967 [0,1,0,0,0,0|1,0,0]=2 27 B3R0.1 CSCF 62a_100015361967_200000210301 [0,1,0,0,0,0|1,0,0]=2 28 B3R0.1 CSCF 62a_200000210301_100015361967 [0,1,0,0,0,0|1,0,0]=2 29 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [0,1,0,0,0,0|1,0,0]=2 30 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [0,1,0,0,0,0|1,0,0]=2 31 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [0,1,0,0,0,0|0,0,2]=3 32 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [0,1,0,0,0,0|0,0,2]=3 33 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [0,1,0,0,0,0|2,0,0]=3 34 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [0,1,0,0,0,0|2,0,0]=3 35 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [0,1,0,0,0,0|2,0,0]=3 36 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,2,0,0,0,0|0,0,2]=4 38 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,2,0,0,0,0|0,0,2]=4 39 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,2,0,0,0,0|0,0,2]=4 40 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,2,0,0,0,0|0,0,2]=4 41 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,2,0,0,0,0|1,0,0]=3 42 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,2,0,0,0,0|0,0,0]=2 43 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,2,0,0,0,0|1,0,0]=3 44 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,2,0,0,0,0|1,0,0]=3 45 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,2,0,0,0,0|0,0,0]=2 46 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,2,0,0,0,0|0,1,0]=3 47 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,2,0,0,0,0|0,1,0]=3 48 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,2,0,0,0,0|0,0,1]=3 49 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,2,0,0,0,0|0,0,1]=3 50 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,2,0,0,0,0|0,0,1]=3 51 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,2,0,0,0,0|1,0,0]=3 52 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,2,0,0,0,0|1,0,0]=3 53 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,2,0,0,0,0|1,0,0]=3 54 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,2,0,0,0,0|1,0,0]=3 55 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,2,0,0,0,0|1,0,0]=3 56 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,2,0,0,0,0|1,0,0]=3 57 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,2,0,0,0,0|1,0,0]=3 58 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,2,0,0,0,0|0,0,2]=4 59 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,2,0,0,0,0|0,0,2]=4 60 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,2,0,0,0,0|0,0,2]=4 61 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,2,0,0,0,0|0,0,2]=4 62 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,2,0,0,0,0|1,0,0]=3 63 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,2,0,0,0,0|1,0,0]=3 64 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,2,0,0,0,0|1,0,0]=3 65 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,2,0,0,0,0|1,0,0]=3 66 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,2,0,0,0,0|1,0,0]=3 67 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,2,0,0,0,0|0,0,0]=2 68 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,2,0,0,0,0|0,0,0]=2 69 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,2,0,0,0,0|0,1,0]=3 70 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,2,0,0,0,0|0,1,0]=3 71 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,2,0,0,0,0|0,0,0]=2 72 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,2,0,0,0,0|1,0,0]=3 73 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,2,0,0,0,0|1,0,0]=3 74 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,2,0,0,0,0|1,0,0]=3 75 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,2,0,0,0,0|1,0,0]=3 76 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,2,0,0,0,0|1,0,0]=3 77 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,2,0,0,0,0|0,0,1]=3 78 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,2,0,0,0,0|0,0,1]=3 79 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,2,0,0,0,0|0,0,1]=3 80 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,2,0,0,0,0|1,0,0]=3 81 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,2,0,0,0,0|1,0,0]=3 82 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,2,0,0,0,0|1,0,0]=3 83 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,2,0,0,0,0|1,0,0]=3 84 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,2,0,0,0,0|1,0,0]=3 85 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,2,0,0,0,0|1,0,0]=3 86 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,2,0,0,0,0|1,0,0]=3 87 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,2,0,0,0,0|0,0,1]=3 88 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,2,0,0,0,0|0,0,1]=3 89 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,2,0,0,0,0|0,0,1]=3 90 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,2,0,0,0,0|1,0,0]=3 91 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,2,0,0,0,0|1,0,0]=3 92 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,2,0,0,0,0|1,0,0]=3 93 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,2,0,0,0,0|1,0,0]=3 94 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,2,0,0,0,0|1,0,0]=3 95 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,2,0,0,0,0|1,0,0]=3 96 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,2,0,0,0,0|1,0,0]=3 97 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,2,0,0,0,0|0,0,0]=2 98 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,2,0,0,0,0|0,0,0]=2 99 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,2,0,0,0,0|0,0,0]=2 100 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,2,0,0,0,0|0,1,0]=3 101 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,2,0,0,0,0|0,1,0]=3 102 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,2,0,0,0,0|0,1,0]=3 103 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,2,0,0,0,0|0,1,0]=3 104 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,2,0,0,0,0|1,0,0]=3 105 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,2,0,0,0,0|0,0,0]=2 106 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,2,0,0,0,0|0,0,0]=2 107 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,2,0,0,0,0|0,1,0]=3 108 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,2,0,0,0,0|0,1,0]=3 109 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,2,0,0,0,0|0,1,0]=3 110 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,2,0,0,0,0|1,0,0]=3 111 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,2,0,0,0,0|1,0,0]=3 112 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,2,0,0,0,0|0,0,1]=3 113 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,2,0,0,0,0|0,0,1]=3 114 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,2,0,0,0,0|0,0,1]=3 115 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,2,0,0,0,0|1,0,0]=3 116 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,2,0,0,0,0|1,0,0]=3 117 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,2,0,0,0,0|1,0,0]=3 118 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,2,0,0,0,0|1,0,0]=3 119 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,2,0,0,0,0|0,0,0]=2 120 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,2,0,0,0,0|0,0,0]=2 121 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,2,0,0,0,0|0,0,0]=2 122 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,2,0,0,0,0|0,0,0]=2 123 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,2,0,0,0,0|0,0,0]=2 124 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,2,0,0,0,0|0,0,0]=2 125 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,2,0,0,0,0|0,1,0]=3 126 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,2,0,0,0,0|0,1,0]=3 127 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,2,0,0,0,0|0,0,1]=3 128 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,2,0,0,0,0|0,0,0]=2 129 B4R0.2 COCCF 34a_100138415774_100011217306 [0,2,0,0,0,0|0,0,0]=2 130 B4R0.2 COCCN 34a_100000210304_200000210301 [0,2,0,0,0,0|0,0,0]=2 131 B4R0.2 COCCO 34a_100138415774_100000211926 [0,2,0,0,0,0|0,0,0]=2 132 B4R0.2 COCSC 34a_100138415774_100011218213 [0,2,0,0,0,0|0,0,0]=2 133 B4R0.2 COCSC 62a_100000766300_200000210301 [0,2,0,0,0,0|0,0,0]=2 134 B4R0.2 COCSC 62a_200000210301_100000766300 [0,2,0,0,0,0|0,0,0]=2 135 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,2,0,0,0,0|0,0,0]=2 136 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,2,0,0,0,0|0,0,0]=2 137 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,2,0,0,0,0|1,0,0]=3 138 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,2,0,0,0,0|1,0,0]=3 139 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,2,0,0,0,0|0,0,1]=3 140 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,2,0,0,0,0|0,0,1]=3 141 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,2,0,0,0,0|0,1,0]=3 142 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,2,0,0,0,0|0,1,0]=3 143 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,2,0,0,0,0|0,0,0]=2 144 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,2,0,0,0,0|0,0,0]=2 145 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,2,0,0,0,0|0,1,0]=3 146 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,2,0,0,0,0|0,1,0]=3 147 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,2,0,0,0,0|0,1,0]=3 148 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,2,0,0,0,0|0,1,0]=3 149 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,2,0,0,0,0|1,0,0]=3 150 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,2,0,0,0,0|1,0,0]=3 151 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,2,0,0,0,0|0,0,0]=2 152 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,2,0,0,0,0|0,0,0]=2 153 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,2,0,0,0,0|0,0,0]=2 154 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,2,0,0,0,0|0,0,0]=2 155 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,2,0,0,0,0|1,0,0]=3 156 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,2,0,0,0,0|1,0,0]=3 157 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,2,0,0,0,0|0,0,1]=3 158 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,2,0,0,0,0|0,0,1]=3 159 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,2,0,0,0,0|0,1,0]=3 160 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,2,0,0,0,0|0,1,0]=3 161 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,2,0,0,0,0|0,0,0]=2 162 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,2,0,0,0,0|0,0,0]=2