0 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,0,0,0|3,0,0]=3 2 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,0,0,0|3,0,0]=3 3 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,0,0,0|3,0,0]=3 4 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,0,0,0|2,0,0]=3 7 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,0,0,0|2,0,0]=3 8 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,0,0,0|2,0,0]=3 9 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,0,0,0|2,0,0]=3 10 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,0,0,0|2,0,0]=3 14 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,1,0,0,0,0|1,1,0]=3 19 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,0,0,0|2,0,0]=3 21 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,0,0,0|2,0,0]=3 25 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,1,0,0,0,0|1,1,0]=3 29 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,1,0,0,0,0|1,1,0]=3 30 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,1,0,0,0,0|1,1,0]=3 33 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,1,0,0,0,0|1,1,0]=3 34 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,0,0,0|2,0,0]=3 35 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,0,0,0|2,0,0]=3 36 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,0,0,0|2,0,0]=3 37 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,0,0,0|1,0,0]=2 38 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,0,0,0|2,0,0]=3 39 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,0,0,0|2,0,0]=3 40 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,0,0,0|1,0,0]=2 41 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,0,0,0|1,0,0]=2 42 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,1,0,0,0,0|1,1,0]=3 43 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,1,0,0,0,0|1,1,0]=3 44 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,0,0,0|1,0,0]=2 45 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,0,0,0|1,0,0]=2 46 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,0,0,0|3,0,0]=4 50 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,0,0,0|3,0,0]=4 51 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,0,0,0|3,0,0]=4 53 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,0,0,0|3,0,0]=4 54 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,0,0,0|3,0,0]=4 55 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,0,0,0|3,0,0]=4 56 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,0,0,0|1,0,1]=3 58 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,1,0,0,0,0|3,0,0]=4 60 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,1,0,0,0,0|3,0,0]=4 61 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,1,0,0,0,0|3,0,0]=4 62 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,1,0,0,0,0|3,0,0]=4 63 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,0,0,0|1,0,1]=3 65 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,1,0,0,0|0,1,2]=4 66 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,1,0,0,0|1,0,2]=4 67 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,1,0,0,0|3,0,0]=4 68 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,1,0,0,0|3,0,0]=4 69 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,1,0,0,0|3,0,0]=4 70 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,1,0,0,0|3,0,0]=4 71 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,1,0,0,0|3,0,0]=4 72 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,1,0,0,0|1,0,2]=4 73 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,1,0,0,0|1,0,2]=4 74 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,1,0,0,0|1,0,2]=4 75 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,1,0,0,0|3,0,0]=4 76 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,1,0,0,0|3,0,0]=4 77 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,1,0,0,0|3,0,0]=4 78 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,1,0,0,0|3,0,0]=4 79 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,1,0,0,0|3,0,0]=4 80 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,1,0,0,0|3,0,0]=4 81 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,1,0,0,0|2,1,0]=4 82 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,1,0,0,0|3,0,0]=4 83 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,1,0,0,0|3,0,0]=4 84 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,1,0,0,0|3,0,0]=4 85 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,1,0,0,0|3,0,0]=4 86 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,1,0,0,0|3,0,0]=4 87 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,1,0,0,0|3,0,0]=4 88 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,1,0,0,0|3,0,0]=4 89 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,1,0,0,0|3,0,0]=4 90 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,1,0,0,0|3,0,0]=4 91 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,1,0,0,0|1,0,2]=4 92 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,0,1,0,0,0|2,0,1]=4 93 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,0,1,0,0,0|2,0,1]=4 94 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,0,1,0,0,0|2,0,1]=4 95 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,0,1,0,0,0|2,0,1]=4 96 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,0,1,0,0,0|2,0,1]=4 97 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,0,1,0,0,0|1,0,1]=3 98 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,0,1,0,0,0|1,0,1]=3 99 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,0,1,0,0,0|1,0,1]=3 100 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,0,1,0,0,0|1,1,1]=4 101 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,0,1,0,0,0|1,1,1]=4 102 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,1,0,0,0|2,0,1]=4 103 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,1,0,0,0|2,0,1]=4 104 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,1,0,0,0|2,0,1]=4 105 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,1,0,0,0|2,0,1]=4 106 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,1,0,0,0|2,0,1]=4 107 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,0,1,0,0,0|1,0,1]=3 108 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,0,1,0,0,0|1,0,1]=3 109 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,0,1,0,0,0|1,0,1]=3 110 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,0,1,0,0,0|1,1,1]=4 111 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,0,1,0,0,0|1,1,1]=4 112 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,0,1,0,0,0|1,1,1]=4 113 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,0,1,0,0,0|1,1,1]=4 114 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,0,1,0,0,0|2,0,0]=3 115 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,0,1,0,0,0|2,0,0]=3 116 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,0,1,0,0,0|2,0,0]=3 117 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,0,1,0,0,0|1,0,0]=2 118 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,0,1,0,0,0|1,0,0]=2 119 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,0,1,0,0,0|1,0,0]=2 120 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,0,1,0,0,0|1,1,0]=3 121 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,0,1,0,0,0|1,1,0]=3 122 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,0,1,0,0,0|1,1,0]=3 123 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,0,1,0,0,0|1,1,0]=3 124 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,0,1,0,0,0|3,0,0]=4 125 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,0,1,0,0,0|2,1,0]=4 127 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,0,1,0,0,0|3,0,0]=4 128 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,0,1,0,0,0|2,1,0]=4 129 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,0,1,0,0,0|2,1,0]=4 130 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,0,1,0,0,0|2,0,1]=4 131 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,0,1,0,0,0|2,0,1]=4 132 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,1,0,0,0|2,0,1]=4 133 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,1,0,0,0|2,0,1]=4 134 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,1,0,0,0|2,0,1]=4 135 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,0,1,0,0,0|1,1,0]=3 136 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,0,1,0,0,0|1,1,0]=3 137 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,0,1,0,0,0|1,1,0]=3 138 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,0,1,0,0,0|1,1,0]=3 139 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,0,1,0,0,0|2,0,0]=3 140 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,0,1,0,0,0|2,0,0]=3 141 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,0,1,0,0,0|2,0,0]=3 142 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,0,1,0,0,0|2,0,0]=3 143 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,0,1,0,0,0|2,0,0]=3 144 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,0,1,0,0,0|2,0,0]=3 145 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,0,1,0,0,0|2,1,0]=4 146 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,0,1,0,0,0|2,1,0]=4 147 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,0,1,0,0,0|1,0,1]=3 148 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,0,1,0,0,0|0,1,0]=2 149 B4R0.2 COCCF 34a_100138415774_100011217306 [0,0,1,0,0,0|0,1,0]=2 150 B4R0.2 COCCN 34a_100000210304_200000210301 [0,0,1,0,0,0|1,0,0]=2 151 B4R0.2 COCCO 34a_100138415774_100000211926 [0,0,1,0,0,0|1,0,0]=2 152 B4R0.2 COCSC 34a_100138415774_100011218213 [0,0,1,0,0,0|2,0,0]=3 153 B4R0.2 COCSC 62a_100000766300_200000210301 [0,0,1,0,0,0|2,0,0]=3 154 B4R0.2 COCSC 62a_200000210301_100000766300 [0,0,1,0,0,0|2,0,0]=3 155 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,0,1,0,0,0|2,0,0]=3 156 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,0,1,0,0,0|2,0,0]=3 157 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,0,1,0,0,0|1,1,1]=4 158 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,0,1,0,0,0|1,1,1]=4 159 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,0,1,0,0,0|1,1,1]=4 160 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,0,1,0,0,0|1,1,1]=4 161 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,0,1,0,0,0|0,2,0]=3 162 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,0,1,0,0,0|0,2,0]=3 163 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,0,1,0,0,0|1,1,0]=3 164 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,0,1,0,0,0|1,1,0]=3 165 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,0,1,0,0,0|2,1,0]=4 166 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,0,1,0,0,0|2,1,0]=4 167 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,0,1,0,0,0|2,1,0]=4 168 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,0,1,0,0,0|2,1,0]=4 169 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,0,1,0,0,0|2,1,0]=4 170 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,0,1,0,0,0|1,1,0]=3 171 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,0,1,0,0,0|2,0,0]=3 172 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,0,1,0,0,0|2,0,0]=3 173 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,0,1,0,0,0|0,1,0]=2 174 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,0,1,0,0,0|1,0,0]=2 175 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,0,1,0,0,0|1,1,1]=4 176 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,0,1,0,0,0|1,1,1]=4 177 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,0,1,0,0,0|1,1,1]=4 178 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,0,1,0,0,0|1,1,1]=4 179 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,0,1,0,0,0|0,2,0]=3 180 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,0,1,0,0,0|0,2,0]=3 181 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,0,1,0,0,0|1,1,0]=3 182 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,0,1,0,0,0|1,1,0]=3 183 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,0,0,1|3,0,0]=4 184 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,0,0,1|3,0,0]=4 185 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,0,0,1|3,0,0]=4 186 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,0,0,1|3,0,0]=4 187 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,0,0,1|3,0,0]=4 188 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,0,0,1|2,0,0]=3 189 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,0,0,1|2,0,0]=3 190 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,0,0,1|2,0,0]=3 191 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,0,0,1|3,0,0]=4 192 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,0,0,1|3,0,0]=4 193 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,0,0,1|2,0,0]=3 194 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,0,0,1|2,1,0]=4 195 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,0,0,1|3,0,0]=4 196 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,0,0,1|2,0,0]=3 197 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,0,0,0,1|2,1,0]=4 198 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,0,0,1|3,0,0]=4 199 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,0,0,1|3,0,0]=4 200 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,0,0,1|2,0,0]=3 201 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,0,0,1|3,0,0]=4 202 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,0,0,1|2,1,0]=4 203 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,0,0,1|3,0,0]=4 204 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,0,0,1|2,0,0]=3 205 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,1,0,0,0|1,0,0]=3 206 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,1,0,0,0|1,0,0]=3 207 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,1,0,0,0|1,0,0]=3 208 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,1,0,0,0|1,0,0]=3 209 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,1,0,0,0|1,0,0]=3 210 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,1,0,0,0|0,0,0]=2 211 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,1,0,0,0|0,0,0]=2 212 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,1,0,0,0|0,0,0]=2 213 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,1,0,0,0|0,1,0]=3 214 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,1,0,0,0|0,1,0]=3 215 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,1,0,0,0|0,1,0]=3 216 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,1,0,0,0|0,1,0]=3 217 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,1,0,0,0|1,1,0]=4 218 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,1,0,0,0|1,1,0]=4 219 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,1,0,0,0|0,1,0]=3 220 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,1,0,0,0|0,2,0]=4 221 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,1,0,0,0|0,2,0]=4 222 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,1,0,0,0|0,2,0]=4 223 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,1,0,0,0|0,2,0]=4 224 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,1,0,0,0|0,0,2]=4 225 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,1,0,0,0|0,0,2]=4 226 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,1,0,0,0|2,0,0]=4 227 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,1,0,0,0|2,0,0]=4 228 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,1,0,0,0|2,0,0]=4 229 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,1,0,0,0|2,0,0]=4 230 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,1,0,0,0|2,0,0]=4 231 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,1,0,0,0|2,0,0]=4 232 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,1,0,0,0|2,0,0]=4 233 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,1,0,0,0|2,0,0]=4 234 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,1,0,0,0|2,0,0]=4 235 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,1,0,0,0|2,0,0]=4 236 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,1,0,0,0|1,1,0]=4 237 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,1,0,0,0|1,1,0]=4 238 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,1,0,0,0|1,1,0]=4 239 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,1,0,0,0|1,1,0]=4 240 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,1,0,0,0|2,0,0]=4 241 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,1,0,0,0|1,0,0]=3 242 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,1,0,0,0|1,0,0]=3 243 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,1,0,0,0|1,0,0]=3 244 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,1,0,0,0|1,0,0]=3 245 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,1,0,0,0|2,0,0]=4 246 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,1,0,0,0|2,0,0]=4 247 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,1,0,0,0|2,0,0]=4 248 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,1,0,0,0|2,0,0]=4 249 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,1,0,0,0|2,0,0]=4 250 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,1,0,0,0|2,0,0]=4 251 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,1,0,0,0|2,0,0]=4 252 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,1,0,0,0|2,0,0]=4 253 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,1,0,0,0|2,0,0]=4 254 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,1,0,0,0|2,0,0]=4 255 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,1,0,0,0|2,0,0]=4 256 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,1,0,0,0|2,0,0]=4 257 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,1,0,0,0|2,0,0]=4 258 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,1,0,0,0|1,0,0]=3 259 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,1,0,0,0|1,0,0]=3 260 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,1,0,0,0|1,0,0]=3 261 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,1,0,0,0|1,0,0]=3 262 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,1,0,0,0|1,0,0]=3 263 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,1,0,0,0|1,0,0]=3 264 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,1,0,0,0|1,0,0]=3 265 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,1,0,0,0|1,0,0]=3 266 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,1,0,0,0|2,0,0]=4 267 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,1,0,0,0|2,0,0]=4 268 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,1,0,0,0|2,0,0]=4 269 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,1,0,0,0|2,0,0]=4 270 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,1,0,0,0|1,0,0]=3 271 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,1,0,0,0|2,0,0]=4 272 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,1,0,0,0|2,0,0]=4 273 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,1,0,0,0|1,0,0]=3 274 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,1,0,0,0|2,0,0]=4 275 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,1,0,0,0|2,0,0]=4 276 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,1,0,0,0|1,0,0]=3 277 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,1,0,0,0|1,0,0]=3 278 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,1,0,0,0|1,0,0]=3 279 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,1,0,0,0|1,0,0]=3 280 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,1,0,0,0|2,0,0]=4 281 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,1,0,0,0|2,0,0]=4 282 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,1,0,0,0|1,0,0]=3 283 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,1,0,0,0|1,0,0]=3 284 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,1,0,0,0|1,0,1]=4 285 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,1,0,0,0|1,0,1]=4 286 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,1,0,0,0|1,0,1]=4 287 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,1,0,0,0|1,0,1]=4 288 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,1,0,0,0|1,0,1]=4 289 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,1,0,0,0|1,0,1]=4 290 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,1,0,0,0|1,0,1]=4 291 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,1,0,0,0|1,0,1]=4 292 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,1,0,0,0|0,1,0]=3 293 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,1,0,0,0|0,1,0]=3 294 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,1,0,0,0|1,0,0]=3 295 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,1,0,0,0|1,1,0]=4 296 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,1,0,0,0|2,0,0]=4 297 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,1,0,0,0|2,0,0]=4 298 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,1,0,0,0|2,0,0]=4 299 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,1,0,0,0|2,0,0]=4 300 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,1,0,0,0|2,0,0]=4 301 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,1,0,0,0|1,0,0]=3 302 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,1,0,0,0|1,0,0]=3 303 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,1,0,0,0|1,0,0]=3 304 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,1,0,0,0|1,1,0]=4 305 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,1,0,0,0|1,1,0]=4 306 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,1,0,0,0|1,1,0]=4 307 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,1,0,0,0|1,1,0]=4 308 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,1,0,0,0|2,0,0]=4 309 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,1,0,0,0|2,0,0]=4 310 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,1,0,0,0|2,0,0]=4 311 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,1,0,0,0|2,0,0]=4 312 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,1,0,0,0|1,0,1]=4 313 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,1,0,0,0|0,1,0]=3 314 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,1,0,0,0|0,1,0]=3 315 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,1,0,0,0|1,0,0]=3 316 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,1,0,0,0|1,0,0]=3 317 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,1,0,0,0|2,0,0]=4 318 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,1,0,0,0|2,0,0]=4 319 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,1,0,0,0|2,0,0]=4 320 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,1,0,0,0|2,0,0]=4 321 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,1,0,0,0|1,1,0]=4 322 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,1,0,0,0|1,1,0]=4 323 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,1,0,0,0|1,1,0]=4 324 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,1,0,0,0|2,0,0]=4 325 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,1,0,0,0|1,1,0]=4 326 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,1,0,0,0|1,1,0]=4 327 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,1,0,0,0|1,0,1]=4 328 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,1,0,0,0|1,0,1]=4 329 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,1,0,0,0|1,0,1]=4 330 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,1,0,0,0|1,0,1]=4 331 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,1,1,0,0,0|2,0,0]=4 332 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,1,1,0,0,0|2,0,0]=4 333 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,1,1,0,0,0|2,0,0]=4 334 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,1,1,0,0,0|2,0,0]=4 335 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,1,1,0,0,0|2,0,0]=4 336 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,1,1,0,0,0|1,0,0]=3 337 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,1,1,0,0,0|1,0,0]=3 338 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,1,1,0,0,0|1,0,0]=3 339 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,1,1,0,0,0|1,1,0]=4 340 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,1,1,0,0,0|1,1,0]=4 341 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,1,1,0,0,0|1,1,0]=4 342 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,1,1,0,0,0|1,1,0]=4 343 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,1,1,0,0,0|1,0,1]=4 344 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,1,1,0,0,0|1,0,1]=4 345 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,1,1,0,0,0|1,0,1]=4 346 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,1,1,0,0,0|1,0,1]=4 347 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,1,1,0,0,0|1,0,1]=4 348 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,1,1,0,0,0|1,0,1]=4 349 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,1,1,0,0,0|2,0,0]=4 350 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,1,1,0,0,0|2,0,0]=4 351 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,1,1,0,0,0|2,0,0]=4 352 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,1,1,0,0,0|2,0,0]=4 353 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,1,1,0,0,0|2,0,0]=4 354 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,1,1,0,0,0|1,0,0]=3 355 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,1,1,0,0,0|1,0,0]=3 356 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,1,1,0,0,0|1,0,0]=3 357 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,1,1,0,0,0|1,1,0]=4 358 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,1,1,0,0,0|1,1,0]=4 359 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,1,1,0,0,0|1,1,0]=4 360 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,1,1,0,0,0|1,1,0]=4 361 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,1,1,0,0,0|1,0,1]=4 362 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,1,1,0,0,0|1,0,1]=4 363 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,1,1,0,0,0|1,0,1]=4 364 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,1,1,0,0,0|1,0,1]=4 365 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,1,1,0,0,0|1,0,1]=4 366 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,1,1,0,0,0|1,0,1]=4 367 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,1,1,0,0,0|1,0,1]=4 368 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,1,1,0,0,0|2,0,0]=4 369 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,1,1,0,0,0|2,0,0]=4 370 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,1,1,0,0,0|2,0,0]=4 371 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,1,1,0,0,0|2,0,0]=4 372 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,1,1,0,0,0|2,0,0]=4 373 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,1,1,0,0,0|2,0,0]=4 374 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,1,1,0,0,0|2,0,0]=4 375 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,1,1,0,0,0|1,0,0]=3 376 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,1,1,0,0,0|1,0,0]=3 377 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,1,1,0,0,0|1,0,0]=3 378 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,1,1,0,0,0|1,0,0]=3 379 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,1,1,0,0,0|1,0,0]=3 380 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,1,1,0,0,0|1,1,0]=4 381 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,1,1,0,0,0|1,1,0]=4 382 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,1,1,0,0,0|1,1,0]=4 383 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,1,1,0,0,0|1,1,0]=4 384 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,1,1,0,0,0|2,0,0]=4 385 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,1,1,0,0,0|1,0,0]=3 386 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,1,1,0,0,0|1,0,0]=3 387 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,1,1,0,0,0|1,0,0]=3 388 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,1,1,0,0,0|1,1,0]=4 389 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,1,1,0,0,0|1,1,0]=4 390 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,1,1,0,0,0|1,1,0]=4 391 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,1,1,0,0,0|1,1,0]=4 392 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,1,1,0,0,0|1,1,0]=4 393 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,1,1,0,0,0|1,1,0]=4 394 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,1,1,0,0,0|1,0,0]=3 395 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,1,1,0,0,0|1,0,0]=3 396 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,1,1,0,0,0|1,0,0]=3 397 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,1,1,0,0,0|1,0,0]=3 398 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,1,1,0,0,0|1,1,0]=4 399 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,1,1,0,0,0|1,0,1]=4 400 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,1,1,0,0,0|0,1,0]=3 401 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,1,1,0,0,0|0,1,0]=3 402 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,1,1,0,0,0|1,0,0]=3 403 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,1,1,0,0,0|1,0,0]=3 404 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,1,1,0,0,0|1,1,0]=4 405 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,1,1,0,0,0|1,1,0]=4 406 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,1,1,0,0,0|1,1,0]=4 407 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,1,1,0,0,0|1,1,0]=4 408 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,1,1,0,0,0|1,1,0]=4 409 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,1,1,0,0,0|0,2,0]=4 410 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,1,1,0,0,0|0,2,0]=4 411 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,1,1,0,0,0|1,0,0]=3 412 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,1,1,0,0,0|1,0,0]=3 413 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,1,1,0,0,0|1,0,0]=3 414 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,1,1,0,0,0|1,0,0]=3 415 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,1,1,0,0,0|1,1,0]=4 416 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,1,1,0,0,0|1,1,0]=4 417 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,1,1,0,0,0|2,0,0]=4 418 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,1,1,0,0,0|2,0,0]=4 419 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,1,1,0,0,0|1,1,0]=4 420 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,1,1,0,0,0|1,1,0]=4 421 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,1,1,0,0,0|1,1,0]=4 422 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,1,1,0,0,0|1,1,0]=4 423 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,1,1,0,0,0|1,1,0]=4 424 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,1,1,0,0,0|1,0,0]=3 425 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,1,1,0,0,0|1,0,0]=3 426 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,1,1,0,0,0|1,0,0]=3 427 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,1,1,0,0,0|1,0,0]=3 428 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,1,1,0,0,0|1,0,0]=3 429 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,1,1,0,0,0|1,0,0]=3 430 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,1,1,0,0,0|1,0,0]=3 431 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,1,1,0,0,0|1,1,0]=4 432 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,1,1,0,0,0|1,1,0]=4 433 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,1,1,0,0,0|1,1,0]=4 434 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,1,1,0,0,0|1,1,0]=4 435 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,1,1,0,0,0|0,1,0]=3 436 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,1,1,0,0,0|0,0,0]=2 437 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,1,1,0,0,0|0,1,0]=3 438 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,1,1,0,0,0|0,1,0]=3 439 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,1,1,0,0,0|1,0,0]=3 440 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,1,1,0,0,0|1,0,0]=3 441 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,1,1,0,0,0|1,0,0]=3 442 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,1,1,0,0,0|1,0,0]=3 443 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,1,1,0,0,0|1,0,0]=3 444 B5R0.2 COCCON 34a_100000700252_200000210301 [0,1,1,0,0,0|1,0,0]=3 445 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,1,1,0,0,0|1,0,0]=3 446 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,1,1,0,0,0|1,0,0]=3 447 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,1,1,0,0,0|1,0,0]=3 448 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,1,1,0,0,0|1,0,0]=3 449 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,1,1,0,0,0|1,0,0]=3 450 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,1,1,0,0,0|1,0,0]=3 451 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,1,1,0,0,0|1,0,0]=3 452 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,1,1,0,0,0|1,0,0]=3 453 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,1,1,0,0,0|0,1,0]=3 454 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,1,1,0,0,0|0,1,0]=3 455 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,1,1,0,0,0|1,1,0]=4 456 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,1,1,0,0,0|1,1,0]=4 457 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,1,1,0,0,0|0,2,0]=4 458 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,1,1,0,0,0|0,2,0]=4 459 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,1,1,0,0,0|1,0,0]=3 460 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,1,1,0,0,0|1,0,0]=3 461 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,1,1,0,0,0|1,1,0]=4 462 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,1,1,0,0,0|1,0,0]=3 463 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,1,1,0,0,0|1,0,0]=3 464 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,1,1,0,0,0|1,1,0]=4 465 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,1,1,0,0,0|1,1,0]=4 466 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,1,1,0,0,0|1,1,0]=4 467 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,1,1,0,0,0|1,1,0]=4 468 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,1,1,0,0,0|0,2,0]=4 469 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,1,1,0,0,0|0,2,0]=4 470 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,1,1,0,0,0|1,1,0]=4 471 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,1,1,0,0,0|0,2,0]=4 472 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,1,1,0,0,0|0,2,0]=4 473 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,1,1,0,0,0|0,1,0]=3 474 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,1,1,0,0,0|1,0,0]=3 475 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,1,1,0,0,0|0,1,0]=3 476 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,1,1,0,0,0|0,1,0]=3 477 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,1,1,0,0,0|0,1,0]=3 478 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,1,1,0,0,0|1,1,0]=4 479 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,1,1,0,0,0|1,1,0]=4 480 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,1,1,0,0,0|0,1,0]=3 481 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,1,1,0,0,0|0,0,0]=2 482 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,1,1,0,0,0|0,1,0]=3 483 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,1,1,0,0,0|1,0,0]=3 484 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,1,1,0,0,0|1,0,0]=3 485 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,1,1,0,0,0|1,1,0]=4 486 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,1,1,0,0,0|1,1,0]=4 487 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,1,1,0,0,0|0,2,0]=4 488 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,1,1,0,0,0|0,2,0]=4 489 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,1,1,0,0,0|1,0,0]=3 490 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,1,1,0,0,0|1,0,0]=3 491 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,0,0,1|2,0,0]=4 492 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,0,0,1|2,0,0]=4 493 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,0,0,1|2,0,0]=4 494 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,0,0,1|1,0,0]=3 495 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,0,0,1|2,0,0]=4 496 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,0,0,1|2,0,0]=4 497 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,0,0,1|1,0,0]=3 498 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,0,0,1|1,1,0]=4 499 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,0,0,1|2,0,0]=4 500 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,0,0,1|1,0,0]=3 501 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,0,0,1|2,0,0]=4 502 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,0,0,1|2,0,0]=4 503 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,0,0,1|2,0,0]=4 504 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,0,0,1|2,0,0]=4 505 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,0,0,1|2,0,0]=4 506 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,0,0,1|2,0,0]=4 507 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,0,0,1|1,0,0]=3 508 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,0,0,1|1,0,0]=3 509 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,0,0,1|1,0,0]=3 510 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,0,0,1|1,0,0]=3 511 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,0,0,1|1,0,0]=3 512 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,0,0,1|1,0,0]=3 513 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,0,0,1|1,0,0]=3 514 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,0,0,1|1,0,0]=3 515 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,0,0,1|1,0,0]=3 516 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,0,0,1|1,0,0]=3 517 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,0,0,1|2,0,0]=4 518 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,0,0,1|2,0,0]=4 519 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,0,0,1|1,0,0]=3 520 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,0,0,1|1,0,0]=3 521 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,0,0,1|2,0,0]=4 522 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,0,0,1|1,0,0]=3 523 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,0,0,1|1,0,0]=3 524 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,0,0,1|2,0,0]=4 525 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,0,0,1|2,0,0]=4 526 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,0,0,1|1,0,0]=3 527 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,0,0,1|1,0,0]=3 528 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,0,0,1|1,0,0]=3 529 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,0,0,1|1,0,0]=3 530 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,0,0,1|1,1,0]=4 531 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,0,0,1|1,1,0]=4 532 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,0,0,1|0,2,0]=4 533 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,0,0,1|1,1,0]=4 534 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,1,0,0,0,1|0,1,0]=3 535 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,0,0,1|2,0,0]=4 536 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,0,0,1|2,0,0]=4 537 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,0,0,1|1,0,0]=3 538 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,0,0,1|1,0,0]=3 539 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,0,0,1|1,0,0]=3 540 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,0,0,1|1,0,0]=3 541 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,0,0,1|2,0,0]=4 542 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,0,0,1|1,0,0]=3 543 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,0,0,1|2,0,0]=4 544 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,0,0,1|1,0,0]=3 545 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,0,0,1|2,0,0]=4 546 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,0,0,1|2,0,0]=4 547 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,0,0,1|1,0,0]=3 548 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,0,0,1|1,0,0]=3 549 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,0,0,1|1,0,0]=3 550 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,0,0,1|1,0,0]=3 551 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,0,0,1|2,0,0]=4 552 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,0,0,1|2,0,0]=4 553 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,0,0,1|2,0,0]=4 555 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,1,0,0,0,1|1,1,0]=4 556 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,1,0,0,0,1|1,1,0]=4 557 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,0,0,1|2,0,0]=4 558 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,0,0,1|2,0,0]=4 559 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,1,0,0,0,1|1,1,0]=4 560 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,1,0,0,0,1|1,1,0]=4 561 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,0,0,1|1,0,1]=4 564 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,0,0,1|1,0,1]=4 565 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,0,0,1|1,0,1]=4 566 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,1,0,0,0,1|2,0,0]=4 567 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,1,0,0,0,1|2,0,0]=4 568 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,1,0,0,0,1|2,0,0]=4 569 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,1,0,0,0,1|2,0,0]=4 570 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,1,0,0,0,1|2,0,0]=4 571 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,0,0,1|1,0,1]=4 572 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,0,0,1|1,0,1]=4 573 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,0,0,1|2,0,0]=4 574 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,0,0,1|2,0,0]=4 575 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,2,0,0,0,0|2,0,0]=4 576 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,2,0,0,0,0|2,0,0]=4 577 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,2,0,0,0,0|2,0,0]=4 578 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,2,0,0,0,0|2,0,0]=4 579 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,2,0,0,0,0|2,0,0]=4 580 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,2,0,0,0,0|2,0,0]=4 581 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,2,0,0,0,0|2,0,0]=4 582 B7R1.5 FCN[C@@H]1C[C@H]1F 34a_100025746932_100015361967 [0,2,0,0,0,0|1,1,0]=4 583 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,2,0,0,0,0|1,1,0]=4 584 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,2,0,0,0,0|2,0,0]=4 585 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,2,0,0,0,0|2,0,0]=4 586 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,2,0,0,0,0|2,0,0]=4 587 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,2,0,0,0,0|2,0,0]=4 588 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,2,0,0,0,0|2,0,0]=4 589 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,2,0,0,0,0|2,0,0]=4 590 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,2,0,0,0,0|2,0,0]=4 591 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,2,0,0,0,0|2,0,0]=4 592 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,2,0,0,0,0|2,0,0]=4 593 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,2,0,0,0,0|2,0,0]=4 594 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,2,0,0,0,0|2,0,0]=4 595 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,2,0,0,0,0|2,0,0]=4 596 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,2,0,0,0,0|2,0,0]=4 597 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,2,0,0,0,0|2,0,0]=4 598 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,2,0,0,0,0|1,0,0]=3 599 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,2,0,0,0,0|2,0,0]=4 600 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,2,0,0,0,0|2,0,0]=4 601 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,2,0,0,0,0|1,0,0]=3 602 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,2,0,0,0,0|1,0,0]=3 603 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,2,0,0,0,0|2,0,0]=4 604 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,2,0,0,0,0|2,0,0]=4 605 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,2,0,0,0,0|1,0,0]=3 606 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,2,0,0,0,0|1,0,0]=3 607 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,2,0,0,0,0|1,1,0]=4 608 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,2,0,0,0,0|1,1,0]=4 609 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,2,0,0,0,0|1,0,0]=3 610 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,2,0,0,0,0|1,0,0]=3 611 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,2,0,0,0,0|2,0,0]=4 612 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,2,0,0,0,0|2,0,0]=4 613 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,2,0,0,0,0|2,0,0]=4 614 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,2,0,0,0,0|2,0,0]=4 615 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,2,0,0,0,0|1,0,0]=3 616 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,2,0,0,0,0|1,0,0]=3 617 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,2,0,0,0,0|1,0,0]=3 618 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,2,0,0,0,0|2,0,0]=4 620 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,2,0,0,0,0|2,0,0]=4 621 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,2,0,0,0,0|1,0,0]=3 622 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,2,0,0,0,0|1,0,0]=3 623 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,2,0,0,0,0|2,0,0]=4 624 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,2,0,0,0,0|2,0,0]=4 625 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,2,0,0,0,0|2,0,0]=4 626 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,2,0,0,0,0|1,0,0]=3 627 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,2,0,0,0,0|1,0,0]=3 628 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,2,0,0,0,0|2,0,0]=4 629 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,2,0,0,0,0|2,0,0]=4 630 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,2,0,0,0,0|1,1,0]=4 631 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,2,0,0,0,0|1,1,0]=4 632 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,2,0,0,0,0|1,1,0]=4 633 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,2,0,0,0,0|1,1,0]=4 634 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,2,0,0,0,0|1,1,0]=4 635 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,2,0,0,0,0|0,1,0]=3 636 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,2,0,0,0,0|1,1,0]=4 637 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,2,0,0,0,0|1,1,0]=4 638 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,2,0,0,0,0|0,1,0]=3 639 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,2,0,0,0,0|0,1,0]=3 640 B7R1.7 FCSCC1CS1 62a_100000031435_100015361967 [0,2,0,0,0,0|0,2,0]=4 641 B7R1.7 FCSCC1CS1 62a_100015361967_100000031435 [0,2,0,0,0,0|0,2,0]=4 642 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,2,0,0,0,0|0,1,0]=3 643 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,2,0,0,0,0|0,1,0]=3 644 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,2,0,0,0,0|2,0,0]=4 645 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,2,0,0,0,0|2,0,0]=4 646 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,2,0,0,0,0|2,0,0]=4 647 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,2,0,0,0,0|2,0,0]=4 648 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,2,0,0,0,0|2,0,0]=4 649 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,2,0,0,0,0|2,0,0]=4 650 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,2,0,0,0,0|2,0,0]=4 651 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,2,0,0,0,0|2,0,0]=4 652 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,2,0,0,0,0|2,0,0]=4 653 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,2,0,0,0,0|2,0,0]=4 654 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,2,0,0,0,0|1,0,0]=3 655 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,2,0,0,0,0|2,0,0]=4 656 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,2,0,0,0,0|2,0,0]=4 657 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,2,0,0,0,0|1,0,0]=3 658 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,2,0,0,0,0|1,0,0]=3 659 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,2,0,0,0,0|2,0,0]=4 660 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,2,0,0,0,0|2,0,0]=4 661 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,2,0,0,0,0|1,0,0]=3 662 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,2,0,0,0,0|1,1,0]=4 663 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,2,0,0,0,0|1,0,0]=3 664 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,2,0,0,0,0|2,0,0]=4 665 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,2,0,0,0,0|2,0,0]=4 666 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,2,0,0,0,0|2,0,0]=4 667 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,2,0,0,0,0|2,0,0]=4 668 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,2,0,0,0,0|2,0,0]=4 669 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,2,0,0,0,0|2,0,0]=4 670 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,2,0,0,0,0|2,0,0]=4 671 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,2,0,0,0,0|2,0,0]=4 672 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,2,0,0,0,0|1,0,0]=3 673 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,2,0,0,0,0|1,0,0]=3 674 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [0,2,0,0,0,0|1,1,0]=4 675 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,2,0,0,0,0|1,0,0]=3 676 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,2,0,0,0,0|2,0,0]=4 677 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,2,0,0,0,0|2,0,0]=4 678 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,2,0,0,0,0|2,0,0]=4 680 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,2,0,0,0,0|2,0,0]=4 681 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,2,0,0,0,0|1,1,0]=4 682 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,2,0,0,0,0|1,0,0]=3 683 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,2,0,0,0,0|1,0,0]=3 684 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,2,0,0,0,0|2,0,0]=4 685 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,2,0,0,0,0|2,0,0]=4 686 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,2,0,0,0,0|2,0,0]=4 687 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,2,0,0,0,0|2,0,0]=4 688 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,2,0,0,0,0|1,0,0]=3 689 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,2,0,0,0,0|2,0,0]=4 690 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,2,0,0,0,0|2,0,0]=4 691 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,2,0,0,0,0|2,0,0]=4 692 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,2,0,0,0,0|1,0,0]=3 693 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,2,0,0,0,0|1,0,0]=3 694 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,2,0,0,0,0|1,0,0]=3 695 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,2,0,0,0,0|2,0,0]=4 696 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,2,0,0,0,0|2,0,0]=4 697 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,2,0,0,0,0|2,0,0]=4 698 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,2,0,0,0,0|2,0,0]=4 699 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,2,0,0,0,0|2,0,0]=4 700 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,2,0,0,0,0|2,0,0]=4 701 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,2,0,0,0,0|2,0,0]=4 702 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,2,0,0,0,0|2,0,0]=4 703 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,2,0,0,0,0|1,0,0]=3 704 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,2,0,0,0,0|2,0,0]=4 705 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,2,0,0,0,0|2,0,0]=4 706 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,2,0,0,0,0|2,0,0]=4 707 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,2,0,0,0,0|2,0,0]=4 708 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,2,0,0,0,0|2,0,0]=4 709 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,2,0,0,0,0|2,0,0]=4 710 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,2,0,0,0,0|2,0,0]=4 711 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [0,2,0,0,0,0|1,1,0]=4 712 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,2,0,0,0,0|1,0,1]=4 713 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,2,0,0,0,0|1,0,1]=4 714 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,2,0,0,0,0|1,0,1]=4 715 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,2,0,0,0,0|1,0,1]=4 716 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,2,0,0,0,0|2,0,0]=4 717 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,2,0,0,0,0|2,0,0]=4 718 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,2,0,0,0,0|2,0,0]=4 719 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,2,0,0,0,0|1,0,0]=3 720 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,2,0,0,0,0|2,0,0]=4 721 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,2,0,0,0,0|2,0,0]=4 722 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,2,0,0,0,0|1,1,0]=4 723 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,2,0,0,0,0|0,1,0]=3 724 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,2,0,0,0,0|2,0,0]=4 725 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,2,0,0,0,0|2,0,0]=4 726 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,2,0,0,0,0|1,1,0]=4 727 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,2,0,0,0,0|1,1,0]=4 728 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,2,0,0,0,0|1,1,0]=4 729 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,2,0,0,0,0|1,1,0]=4 730 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,0,0,2|2,0,0]=4 731 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,0,0,2|2,0,0]=4 732 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,0,0,2|2,0,0]=4 733 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,0,0,2|2,0,0]=4 734 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,0,0,2|2,0,0]=4 735 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,0,0,2|2,0,0]=4 736 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,0,0,2|2,0,0]=4 737 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,0,0,2|2,0,0]=4 738 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,0,0,2|2,0,0]=4 739 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,0,0,2|2,0,0]=4 740 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,0,0,2|2,0,0]=4 741 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,0,0,2|2,0,0]=4 742 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,0,0,2|2,0,0]=4 743 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,0,0,2|2,0,0]=4 744 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,0,0,2|2,0,0]=4 745 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,0,0,2|2,0,0]=4 746 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,0,0,2|2,0,0]=4