0 B5R0.2 BrCCCC#N AC190285 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 BrCCCC=C AC500173 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C#CCCCN LN00001154 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C(CCI)CCl LN00199790 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CCO\C=C\Br LN00003736 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 CNCCCO AC510766 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.2 COCCNN LN00005546 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 ClCCCC#N AC130176 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 NCCCCBr AC511924 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 NCCCCO AC180225 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.2 NNCCC#N AC170061 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 OCCCC#N AC130359 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.2 OCCCCBr AC030135 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 BrCCC#N AC130357 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CNCC#N AC180278 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CNCCN AC182659 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CNCCO AC500171 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.2 ClCCCI AC511281 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 NCCC#N AC130167 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 OCCC#C AC180055 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.2 OCCC#N AC130358 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 OCCCBr AC500014 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 OCCCO AC510799 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 CCC(C)CNC AC010501 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CCC(C)CNC AC010533 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCCC(C)NC AC010486 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.1 CCCC(C)NC AC010524 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 CCC[C@H](N)CO AC020141 [0,1,0,0,0,0|0,0,0]=1 28 B6R0.1 CCOC(=O)CI AC131813 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=O)CO AC130521 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.1 CCOC(=O)CS AC130132 [0,1,0,0,0,0|1,1,1]=4 31 B6R0.1 COC(=O)CCBr AC511067 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 COC(=O)CCN AC510724 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 OC(CCl)CC#N AC130343 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(=O)CCCCl AC511746 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.4 CC(=O)OCCBr AC511000 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(C)CCCO AC510897 [0,1,0,0,0,0|0,0,0]=1 37 B6R0.4 CC(C)OCCBr AC512105 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.4 CCCCB(O)O AC090160 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.4 CCCOC(N)=O AC512151 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.4 CN(C)CCCBr AC182623 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.4 CN(C)CCCCl AC500093 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.4 CN(C)CCCCl AC512046 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.4 CNCCC(C)C AC010487 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 CNCCC(C)C AC010537 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.4 COCCC(O)=O AC100057 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.4 CSCCC(O)=O HY-101401 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.4 OC(=O)CCC#C AC510868 [0,1,0,0,0,0|0,0,3]=4 48 B6R0.4 OC(=O)CCC#N AC512077 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 OC(=O)CCC=C AC511045 [0,1,0,0,0,0|0,0,3]=4 50 B6R0.4 OC(=O)CCCBr AC511629 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.6 BrCCCCC#N AC130360 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.6 BrCCNCCBr AC182596 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.6 C/C=C/C=C/CO AC220181 [0,1,0,0,0,0|0,0,3]=4 54 B6R0.6 ClCCCCC=O AC511901 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.6 OCCCCC#N AC130361 [0,1,0,0,0,0|0,0,1]=2 56 B6R0.6 OCCCCC=O AC511239 [0,1,0,0,0,0|0,0,1]=2 57 B6R0.6 OCCCCCBr AC500312 [0,1,0,0,0,0|0,0,0]=1 58 B6R1.1 C1CC=CCO1 AC220033 [0,0,0,1,0,0|0,0,2]=3 59 B6R1.1 C1CC=CCS1 AC010335 [0,0,0,1,0,0|0,1,2]=4 60 B6R1.1 C1CCNCC1 AC511092 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.1 C1CCNNC1 LN00001482 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.1 C1CCNNC1 LN00009925 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.1 C1CCONC1 AC070036 [0,0,0,1,0,0|1,0,0]=2 64 B6R1.1 C1CCONC1 LN00001538 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.1 C1CNCCN1 HY-B0912 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.1 C1COC=CC1 AC220191 [0,0,0,1,0,0|0,0,2]=3 67 B6R1.1 C1CSCCN1 AC500065 [0,0,0,1,0,0|1,1,0]=3 68 B6R1.1 C1CSCSC1 AC130234 [0,0,0,1,0,0|1,1,0]=3 69 B6R1.2 BrC1CCOC1 AC190141 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.2 C1CNCC1F LN00001937 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,0,0,1,0,0|1,0,0]=2 72 B6R1.2 C1COCC1I LN00003379 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 C1COC[C@H]1O LN00007278 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.2 C1CSCC1=O LN00009539 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.2 CC1=CCCC1 AC220188 [0,0,0,1,0,0|1,0,1]=3 76 B6R1.2 CC1CCNC1 LN00002080 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,0,0,1,0,0|1,0,0]=2 78 B6R1.2 ClC1CCOC1 AC220018 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 F[C@H]1CCNC1 AC511044 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 IC1CCOC1 AC220019 [0,0,0,1,0,0|2,0,0]=3 82 B6R1.2 NC1=NCCC1 AC020022 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 NC1CCNC1 AC220157 [0,0,0,1,0,0|2,0,0]=3 84 B6R1.2 NC1CCOC1 AC220015 [0,0,0,1,0,0|2,0,0]=3 85 B6R1.2 NN1CCCC1 AC160502 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.2 O=C1CCNC1 AC220156 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.2 O=C1CCNC1 AC511910 [0,0,0,1,0,0|1,0,2]=4 88 B6R1.2 O=C1CCOC1 AC220014 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 O=C1NCCO1 AC510795 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 OC1CC=CC1 AC181108 [0,0,0,1,0,0|0,0,2]=3 91 B6R1.2 OC1CCCC1 AC190215 [0,0,0,1,0,0|0,0,0]=1 92 B6R1.2 OC1CCNC1 AC181524 [0,0,0,1,0,0|1,0,0]=2 93 B6R1.2 OC1CCOC1 AC021063 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,0,0,1,0,0|1,0,0]=2 95 B6R1.2 O[C@H]1CCNC1 AC021101 [0,0,0,1,0,0|1,0,0]=2 96 B6R1.2 O[C@H]1CCNC1 AC510620 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 O[C@H]1CCOC1 AC180577 [0,0,0,1,0,0|1,0,0]=2 98 B6R1.3 O=CNC1CC1 AC021249 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.6 C1COC1CO LN00172179 [0,0,0,1,0,0|1,0,0]=2 100 B6R1.6 CNC1COC1 AC051112 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.6 COC1CNC1 AC510658 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.6 NNC1CCC1 AC040161 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.6 O=CC1CCC1 AC050499 [0,0,0,1,0,0|0,0,2]=3 104 B6R1.6 OCC1CCC1 AC180017 [0,0,0,1,0,0|0,0,0]=1 105 B6R1.6 OCC1CNC1 AC190004 [0,0,0,1,0,0|1,0,0]=2 106 B6R1.6 OCC1COC1 AC511184 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [0,0,0,1,0,0|0,0,0]=1 109 B3R0.1 CCC[CH2-] AC310111 [2,0,0,0,0,0|0,0,1]=3 110 B3R0.1 CNOC AC130092 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 NCCBr AC500278 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 113 B3R0.1 NCCS HY-77591A [2,0,0,0,0,0|1,1,0]=4 114 B3R0.1 OCCF AC500326 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CC(C)/C=N/O AC010411 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(N)CC#N AC120042 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 CC(N)CCO AC511165 [1,1,0,0,0,0|0,0,0]=2 118 B5R0.1 CCCB(O)O AC500236 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 CCCC([O-])=O HY-B0350A [1,1,0,0,0,0|0,0,2]=4 120 B5R0.1 CCOC(C)=N AC510695 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 CN(C)CCBr AC500092 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.1 CN(C)CCBr LN00009696 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.1 CNCC(O)=O AC500168 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.1 C[C@@H](O)CCO AC500114 [1,1,0,0,0,0|0,0,0]=2 125 B5R0.1 C[C@H](N)CCO AC512035 [1,1,0,0,0,0|0,0,0]=2 126 B5R0.1 NCCS(O)=O HY-100803 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 OCC[N+]([O-])=O AC510890 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.3 C(C(CN)O)N LN00002764 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.3 CCC(=N)NO AC050497 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.3 COC(=O)CO AC190202 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.3 NC(CO)CO AC500076 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.3 NCC(O)CN AC131522 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.3 NCC(O)CO AC180224 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.3 NC[C@@H](O)CO AC181109 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.3 OCC(=C)CO AC511178 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.3 OC[C@@H](O)CCl AC510842 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,2,0,0,0,0|0,0,1]=3 139 B7R0.3 COC(=O)CCCBr AC511051 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.3 COC(=O)CCCN AC510644 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,2,0,0,0,0|0,0,1]=3 142 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.5 COC[C@H](N)C(O)=O AC511991 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.5 NC(CCO)C(O)=O AC511583 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.5 NCCC(N)C(O)=O AC511576 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.7 CCCC(O)COC AC010185 [0,2,0,0,0,0|0,0,0]=2 150 B7R0.7 CCOC(=O)CCBr AC510407 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.7 CCOC(=O)CCI AC180478 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.7 CN(CCCl)CCCl HY-B1253 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.7 COCC(=O)COC AC512018 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.7 COCC(N)COC AC511941 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.7 ClCCC(=O)CCCl AC270026 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917 [0,2,0,0,0,0|1,1,0]=4 159 B7R0.10 O[C@@H](CS)[C@H](O)CS HY-15916 [0,2,0,0,0,0|1,1,0]=4 160 B7R0.4 CC(O)CNCCO AC021070 [0,2,0,0,0,0|0,0,0]=2 161 B7R0.4 CCCCCC(C)N HY-B0952 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.4 COCCCC(O)=O AC100091 [0,2,0,0,0,0|0,0,1]=3 163 B7R0.6 CN(C)CCC(O)=O AC511515 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.8 NCCCS(O)(=O)=O HY-14602 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.8 OCCCC(F)(F)F AC510782 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.1 C#CCOCCOC LN02003873 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.1 COCCOCCN AC511654 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.1 NCCCCCCO AC511691 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.1 NCCCNCCS AC330013 [0,2,0,0,0,0|0,1,0]=3 170 B7R0.1 OCCCCCC#C AC510906 [0,2,0,0,0,0|0,0,0]=2 171 B5R1.1 C1CC=CO1 AC220197 [1,0,0,1,0,0|0,0,2]=4 172 B5R1.1 C1CSCN1 AC021375 [1,0,0,1,0,0|1,1,0]=4 173 B5R1.2 BrC1COC1 AC040038 [1,0,0,1,0,0|2,0,0]=4 174 B5R1.2 C1C(CO1)N LN00218236 [1,0,0,1,0,0|2,0,0]=4 175 B5R1.2 CC1CNC1 LN00002078 [1,0,0,1,0,0|1,0,0]=3 176 B5R1.2 FC1CNC1 AC160493 [1,0,0,1,0,0|2,0,0]=4 177 B5R1.2 IC1COC1 AC510710 [1,0,0,1,0,0|2,0,0]=4 178 B5R1.2 NC1COC1 AC050462 [1,0,0,1,0,0|2,0,0]=4 179 B5R1.2 O=C1CCC1 AC130256 [1,0,0,1,0,0|0,0,2]=4 180 B5R1.2 OC1CNC1 AC181502 [1,0,0,1,0,0|1,0,0]=3 181 B5R1.2 OC1COC1 AC510959 [1,0,0,1,0,0|1,0,0]=3 182 B5R1.3 C1CC1NN LN01252087 [1,0,0,1,0,0|2,0,0]=4 183 B5R1.3 N#CC1CC1 AC130285 [1,0,0,1,0,0|1,0,1]=4 184 B5R1.3 NCC1CC1 AC030129 [1,0,0,1,0,0|1,0,0]=3 185 B5R1.3 NNC1CC1 AC040018 [1,0,0,1,0,0|2,0,0]=4 186 B5R1.3 NNC1CC1 AC050915 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.1 BrCC1CCCC1 AC511868 [0,1,0,1,0,0|1,0,0]=3 188 B7R1.1 BrCC1CCOC1 AC220023 [0,1,0,1,0,0|1,0,0]=3 189 B7R1.1 C1CC(CO)NC1 LN00004769 [0,1,0,1,0,0|0,0,0]=2 190 B7R1.1 C1CCC(C1)C=O LN00189003 [0,1,0,1,0,0|0,0,1]=3 191 B7R1.1 C1CNCC1CO LN00335121 [0,1,0,1,0,0|0,0,0]=2 192 B7R1.1 C1COCC1C#N LN00005530 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.1 C1COCC1CO LN00009482 [0,1,0,1,0,0|0,0,0]=2 194 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [0,1,0,1,0,0|0,0,0]=2 195 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.1 COC1CCNC1 LN00159339 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.1 ClCC1CCOC1 AC220022 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.1 ICC1CCOC1 AC220024 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.1 N#CC1CCNC1 AC160026 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.1 N#CC1CCNC1 AC160074 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.1 N#CC1CCOC1 AC220025 [0,1,0,1,0,0|1,0,1]=4 202 B7R1.1 N#C[C@@H]1CCCN1 AC181493 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.1 NCC1CCCC1 AC050593 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.1 NNC1CCCC1 AC050475 [0,1,0,1,0,0|1,0,0]=3 205 B7R1.1 NNC1CCCC1 AC050611 [0,1,0,1,0,0|1,0,0]=3 206 B7R1.1 O=CC1CCCC1 AC020554 [0,1,0,1,0,0|0,0,1]=3 207 B7R1.1 O=CC1CCOC1 AC220027 [0,1,0,1,0,0|0,0,2]=4 208 B7R1.1 OCC1CC=CC1 AC181767 [0,1,0,1,0,0|0,0,1]=3 209 B7R1.1 OCC1CCCC1 AC180018 [0,1,0,1,0,0|0,0,0]=2 210 B7R1.1 OCC1CCCN1 AC510796 [0,1,0,1,0,0|0,0,0]=2 211 B7R1.1 OCC1CCCO1 AC190177 [0,1,0,1,0,0|0,0,0]=2 212 B7R1.1 OCC1CCOC1 AC220020 [0,1,0,1,0,0|0,0,0]=2 213 B7R1.1 OC[C@@H]1CCCN1 AC180094 [0,1,0,1,0,0|0,0,0]=2 214 B7R1.1 OC[C@H]1CCCN1 AC190243 [0,1,0,1,0,0|0,0,0]=2 215 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.2 CN1CCC(C1)O LN00004977 [0,1,0,1,0,0|1,0,0]=3 217 B7R1.2 CN1CCC(N)C1 AC182540 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.2 CN1CCC(O)C1 AC021691 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,1,0,1,0,0|1,0,0]=3 220 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.3 BrC1CCNCC1 AC511729 [0,1,0,1,0,0|1,0,0]=3 223 B7R1.3 BrC1CCOCC1 AC182117 [0,1,0,1,0,0|0,0,0]=2 224 B7R1.3 C1CSCCC1O LN00163913 [0,1,0,1,0,0|0,0,0]=2 225 B7R1.3 C=C1CCNCC1 AC050993 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.3 C=C1CCNCC1 AC220141 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.3 C=C1CCOCC1 AC220043 [0,1,0,1,0,0|0,0,1]=3 228 B7R1.3 CC1=CCCCC1 AC220166 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.3 CC1=CCNCC1 AC250025 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.3 CC1=CCOCC1 AC220042 [0,1,0,1,0,0|0,0,2]=4 231 B7R1.3 CC1CNCCO1 AC182283 [0,1,0,1,0,0|0,0,0]=2 232 B7R1.3 CC1CNCCO1 LN00002207 [0,1,0,1,0,0|0,0,0]=2 233 B7R1.3 CC1COCCN1 LN00001061 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,1,0,1,0,0|0,0,0]=2 235 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,1,0,1,0,0|0,0,0]=2 237 B7R1.3 C[C@H]1COCCN1 AC020353 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.3 ClC1CCOCC1 AC220190 [0,1,0,1,0,0|0,0,0]=2 240 B7R1.3 FC1CCCNC1 AC160531 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 IC1CCOCC1 AC220044 [0,1,0,1,0,0|0,0,0]=2 242 B7R1.3 NC1CCCNC1 AC180284 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 NC1CCNCC1 AC220142 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.3 NC1CCOCC1 AC180691 [0,1,0,1,0,0|0,0,0]=2 245 B7R1.3 NC1CCOCC1 AC220011 [0,1,0,1,0,0|0,0,0]=2 246 B7R1.3 NC1CCSCC1 AC040153 [0,1,0,1,0,0|0,1,0]=3 247 B7R1.3 NN1CCCCC1 AC160501 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.3 NN1CCCCC1 AC510696 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.3 NN1CCOCC1 AC130024 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.3 N[C@@H]1CCCNC1 AC020138 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.3 O=C1CCCOC1 AC220056 [0,1,0,1,0,0|0,0,1]=3 252 B7R1.3 O=C1CCOCC1 AC180169 [0,1,0,1,0,0|0,0,1]=3 253 B7R1.3 O=C1CCSCC1 AC180170 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.3 O=C1COCCN1 AC130162 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.3 OC1CCCNC1 AC180283 [0,1,0,1,0,0|0,0,0]=2 256 B7R1.3 OC1CCCOC1 AC220041 [0,1,0,1,0,0|0,0,0]=2 257 B7R1.3 OC1CCNCC1 AC180401 [0,1,0,1,0,0|0,0,0]=2 258 B7R1.3 OC1CCNCC1 AC220140 [0,1,0,1,0,0|0,0,0]=2 259 B7R1.3 OC1CCOCC1 AC220010 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.3 OC1CCSCC1 AC010334 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.3 O[C@@H]1CCCNC1 AC511587 [0,1,0,1,0,0|0,0,0]=2 262 B7R1.3 O[C@H]1CCCNC1 AC181658 [0,1,0,1,0,0|0,0,0]=2 263 B7R1.4 BrC1CCOC1=O AC130063 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,1,0,1,0,0|0,0,0]=2 265 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,1,0,1,0,0|0,0,0]=2 266 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [0,1,0,1,0,0|0,0,0]=2 268 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [0,1,0,1,0,0|0,0,0]=2 269 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,1,0,1,0,0|0,0,0]=2 270 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,1,0,1,0,0|0,0,0]=2 271 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,1,0,1,0,0|0,0,0]=2 273 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,1,0,1,0,0|0,0,0]=2 274 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.6 OCCN1CCC1 AC010299 [0,1,0,1,0,0|0,0,0]=2 277 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.25 CC1(CBr)COC1 AC181505 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.25 CC1(CO)COC1 AC511653 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.14 CC1(C)NCCS1 AC180306 [0,1,0,1,0,0|1,1,0]=4 285 B7R1.14 CC1(C)NCCS1 LN00173126 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.14 CC1(O)CCNC1 AC160608 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.14 FC1(F)CCNC1 AC160287 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.18 NC(=O)C1CCC1 AC180388 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.18 OB(O)C1CCC1 AC130289 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.18 OC(=O)C1CCC1 AC131374 [0,1,0,1,0,0|0,0,1]=3 291 B7R1.18 OC(=O)C1CCN1 AC180596 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.18 OC(=O)C1COC1 AC511276 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.23 OCC1CC1(F)F AC040147 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.24 C1CNCCOC1 AC050170 [0,1,0,1,0,0|0,0,0]=2 295 B7R1.24 C1CNCCOC1 LN00001820 [0,1,0,1,0,0|0,0,0]=2 296 B7R2.13 C1C2CNCC12 AC511975 [0,0,0,2,0,0|1,0,0]=3