0 B5R0.1 CC(=O)CC#N AC511126 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)/C=N/O AC010411 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(N)CC#N AC120042 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(N)CCO AC511165 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CCCB(O)O AC500236 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CCCC([O-])=O HY-B0350A [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCOC(C)=N AC510695 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CN(C)CCBr AC500092 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CN(C)CCBr LN00009696 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CN(C)NC=O AC021455 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C[C@@H](O)CCO AC500114 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 C[C@H](N)CCO AC512035 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 NCCC(N)=O AC510910 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 NCCS(O)=O HY-100803 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 OCC[N+]([O-])=O AC510890 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C/C(N)=N/O AC511072 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=C)CBr AC500207 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC(=O)CN AC511171 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(=O)NO AC130286 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(C)NN AC130058 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(C)ON AC511892 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(N)CO AC510879 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CCB(O)O AC090161 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CCC(N)=N AC512090 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CNN(C)C AC021456 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 C[C@@H](O)CN AC180581 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 C[C@H](N)CO AC511021 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 BrCCC#N AC130357 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CNCC#N AC180278 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CNCCN AC182659 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CNCCO AC500171 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.2 ClCCCI AC511281 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 NCCC#N AC130167 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 OCCC#C AC180055 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.2 OCCC#N AC130358 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.2 OCCCBr AC500014 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.2 OCCCO AC510799 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.1 CCC(C)CNC AC010501 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.1 CCC(C)CNC AC010533 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 CCCC(C)NC AC010486 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.1 CCCC(C)NC AC010524 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.1 CCC[C@H](N)CO AC020141 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 COC(=O)CCBr AC511067 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 COC(=O)CCN AC510724 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 OC(CCl)CC#N AC130343 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.2 CC(C)CB(O)O AC090213 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.2 CC(C)CB(O)O LN00119640 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.2 CC(N)CN(C)C AC020477 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.2 CN(C)CC(O)=O AC130146 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.2 CN(C)CC(O)=O AC130178 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,1,0,0,0,0|0,0,0]=1 56 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,1,0,0,0,0|0,0,0]=1 57 B6R0.3 CCC(=O)N(C)C AC130337 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 CN(C)C(=O)CBr AC511120 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CN(C)C(=O)CN AC190042 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 CNC(C)C(C)C AC010479 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CNC(C)C(C)C AC010530 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 COC(=O)C(C)C AC130130 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(=O)CCCCl AC511746 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CC(=O)OCCBr AC511000 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(C)CCCO AC510897 [0,1,0,0,0,0|0,0,0]=1 67 B6R0.4 CC(C)OCCBr AC512105 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.4 CN(C)CCCBr AC182623 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.4 CN(C)CCCCl AC500093 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CN(C)CCCCl AC512046 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 CNCCC(C)C AC010487 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.4 CNCCC(C)C AC010537 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.4 COCCC(O)=O AC100057 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.5 CC(C)(C)CCBr AC020699 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.5 CNCC(C)(C)C AC010541 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.5 CNCC(C)(C)C AC010542 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.5 CS(=O)(=O)CCN AC181731 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.5 FC(F)(F)CCI AC180414 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.5 NCCC(F)(F)F AC511112 [0,1,0,0,0,0|3,0,0]=4 81 B6R1.2 BrC1CCOC1 AC190141 [0,0,0,1,0,0|1,0,0]=2 82 B6R1.2 C1CNCC1F LN00001937 [0,0,0,1,0,0|2,0,0]=3 83 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,0,0,1,0,0|2,0,0]=3 84 B6R1.2 C1COCC1I LN00003379 [0,0,0,1,0,0|1,0,0]=2 85 B6R1.2 C1COC[C@H]1O LN00007278 [0,0,0,1,0,0|1,0,0]=2 86 B6R1.2 C1CSCC1=O LN00009539 [0,0,0,1,0,0|1,1,1]=4 87 B6R1.2 CC1=CCCC1 AC220188 [0,0,0,1,0,0|1,0,2]=4 88 B6R1.2 CC1CCNC1 LN00002080 [0,0,0,1,0,0|1,0,0]=2 89 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.2 ClC1CCOC1 AC220018 [0,0,0,1,0,0|1,0,0]=2 91 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 F[C@H]1CCNC1 AC511044 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.2 IC1CCOC1 AC220019 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.2 NC1CCNC1 AC220157 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 NC1CCOC1 AC220015 [0,0,0,1,0,0|1,0,0]=2 96 B6R1.2 NN1CCCC1 AC160502 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 O=C1CCNC1 AC220156 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 O=C1CCNC1 AC511910 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 O=C1CCOC1 AC220014 [0,0,0,1,0,0|1,0,1]=3 100 B6R1.2 OC1CC=CC1 AC181108 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 OC1CCCC1 AC190215 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 OC1CCNC1 AC181524 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 OC1CCOC1 AC021063 [0,0,0,1,0,0|1,0,0]=2 104 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,0,0,1,0,0|1,0,0]=2 105 B6R1.2 O[C@H]1CCNC1 AC021101 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.2 O[C@H]1CCNC1 AC510620 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 O[C@H]1CCOC1 AC180577 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.3 O=CNC1CC1 AC021249 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.5 NC1CC(O)C1 AC182699 [0,0,0,1,0,0|1,0,0]=2 110 B6R1.5 OC1CC(F)C1 AC010459 [0,0,0,1,0,0|1,0,0]=2 111 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [0,0,0,1,0,0|1,0,0]=2 112 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [0,0,0,1,0,0|0,0,0]=1 113 B6R1.9 NC1CC1(F)F AC040135 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.10 CC1(C)CNC1 AC182563 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.10 CC1(O)COC1 AC511231 [0,0,0,1,0,0|3,0,0]=4 116 B3R0.1 CCC[CH2-] AC310111 [2,0,0,0,0,0|0,0,1]=3 117 B3R0.1 CNOC AC130092 [2,0,0,0,0,0|2,0,0]=4 118 B3R0.1 NCCBr AC500278 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 120 B3R0.1 NCCS HY-77591A [2,0,0,0,0,0|1,1,0]=4 121 B3R0.1 OCCF AC500326 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.2 CB(O)O AC500190 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.2 CN(C)C AC130299 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.2 CP(C)=O AC130246 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.3 C(C(CN)O)N LN00002764 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.3 COC(=O)CO AC190202 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.3 NC(CO)CO AC500076 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.3 NCC(O)CN AC131522 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.3 NCC(O)CO AC180224 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.3 NC[C@@H](O)CO AC181109 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.3 OCC(=C)CO AC511178 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.3 OC[C@@H](O)CCl AC510842 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.4 CC(C)(C)NN AC190172 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.4 CC(C)(C)ON AC210024 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.4 CC(C)(F)CO AC130344 [1,1,0,0,0,0|0,0,0]=2 137 B5R0.4 CC(C)(O)CN AC500020 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.4 CC(C)(O)CO AC511880 [1,1,0,0,0,0|0,0,0]=2 139 B5R0.4 CC(F)(F)CO AC220122 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.4 OCC(Br)(Br)Br HY-B1372 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.5 CC(C(=N)O)N LN00156053 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(C)B(O)O AC190241 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.2 BrCCCC#N AC190285 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.2 BrCCCC=C AC500173 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.2 C#CCCCN LN00001154 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.2 C(CCI)CCl LN00199790 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.2 CNCCCO AC510766 [1,1,0,0,0,0|0,0,0]=2 148 B5R0.2 COCCNN LN00005546 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.2 ClCCCC#N AC130176 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.2 NCCCCBr AC511924 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.2 NCCCCO AC180225 [1,1,0,0,0,0|0,0,0]=2 152 B5R0.2 OCCCC#N AC130359 [1,1,0,0,0,0|0,0,1]=3 153 B5R0.2 OCCCCBr AC030135 [1,1,0,0,0,0|0,0,0]=2 154 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,2,0,0,0,0|0,0,1]=3 155 B7R0.5 CCOC(=N)C(C)C AC200066 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.5 NC(CCO)C(O)=O AC511583 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.7 CCCC(O)COC AC010185 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.7 CN(CCCl)CCCl HY-B1253 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917 [0,2,0,0,0,0|1,1,0]=4 163 B7R0.10 O[C@@H](CS)[C@H](O)CS HY-15916 [0,2,0,0,0,0|1,1,0]=4 164 B7R0.9 CC(C)(C)CC(O)=O AC511458 [0,2,0,0,0,0|0,0,1]=3 165 B7R0.9 CC(C)(N)CC(O)=O AC182782 [0,2,0,0,0,0|0,0,1]=3 166 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|0,0,0]=2 167 B7R0.9 C[N+](C)(C)CC(O)=O HY-N0739 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.14 CC(C)(C)[C@@H](CO)N LN00225874 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.4 CC(O)CNCCO AC021070 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.4 CCCCCC(C)N HY-B0952 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.6 CN(C)CCC(O)=O AC511515 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.8 C[Si](C)(C)C#CCO AC510811 [0,2,0,0,0,0|0,1,1]=4 177 B7R0.8 OCCCC(F)(F)F AC510782 [0,2,0,0,0,0|2,0,0]=4 178 B5R1.2 BrC1COC1 AC040038 [1,0,0,1,0,0|1,0,0]=3 179 B5R1.2 C1C(CO1)N LN00218236 [1,0,0,1,0,0|1,0,0]=3 180 B5R1.2 CC1CNC1 LN00002078 [1,0,0,1,0,0|1,0,0]=3 181 B5R1.2 FC1CNC1 AC160493 [1,0,0,1,0,0|2,0,0]=4 182 B5R1.2 IC1COC1 AC510710 [1,0,0,1,0,0|1,0,0]=3 183 B5R1.2 NC1COC1 AC050462 [1,0,0,1,0,0|1,0,0]=3 184 B5R1.2 O=C1CCC1 AC130256 [1,0,0,1,0,0|1,0,1]=4 185 B5R1.2 O=C1COC1 AC130304 [1,0,0,1,0,0|1,0,1]=4 186 B5R1.2 OC1CNC1 AC181502 [1,0,0,1,0,0|2,0,0]=4 187 B5R1.2 OC1COC1 AC510959 [1,0,0,1,0,0|1,0,0]=3 188 B5R1.3 C1CC1NN LN01252087 [1,0,0,1,0,0|2,0,0]=4 189 B5R1.3 N#CC1CC1 AC130285 [1,0,0,1,0,0|1,0,1]=4 190 B5R1.3 NCC1CC1 AC030129 [1,0,0,1,0,0|1,0,0]=3 191 B5R1.3 NNC1CC1 AC040018 [1,0,0,1,0,0|2,0,0]=4 192 B5R1.3 NNC1CC1 AC050915 [1,0,0,1,0,0|2,0,0]=4 193 B5R1.5 CC1(N)CC1 AC182620 [1,0,0,1,0,0|1,0,0]=3 194 B5R1.1 C1CC=CO1 AC220197 [1,0,0,1,0,0|0,0,2]=4 195 B5R1.1 C1CSCN1 AC021375 [1,0,0,1,0,0|1,1,0]=4 196 B7R1.1 BrCC1CCCC1 AC511868 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.1 BrCC1CCOC1 AC220023 [0,1,0,1,0,0|0,0,0]=2 198 B7R1.1 C1CC(CO)NC1 LN00004769 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.1 C1CCC(C1)C=O LN00189003 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.1 C1CNCC1CO LN00335121 [0,1,0,1,0,0|1,0,0]=3 201 B7R1.1 C1COCC1C#N LN00005530 [0,1,0,1,0,0|0,0,1]=3 202 B7R1.1 C1COCC1CO LN00009482 [0,1,0,1,0,0|0,0,0]=2 203 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [0,1,0,1,0,0|1,0,0]=3 205 B7R1.1 COC1CCNC1 LN00159339 [0,1,0,1,0,0|1,0,0]=3 206 B7R1.1 ClCC1CCOC1 AC220022 [0,1,0,1,0,0|0,0,0]=2 207 B7R1.1 ICC1CCOC1 AC220024 [0,1,0,1,0,0|0,0,0]=2 208 B7R1.1 N#CC1CCNC1 AC160026 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.1 N#CC1CCNC1 AC160074 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 N#CC1CCOC1 AC220025 [0,1,0,1,0,0|0,0,1]=3 211 B7R1.1 NCC1CCCC1 AC050593 [0,1,0,1,0,0|1,0,0]=3 212 B7R1.1 NNC1CCCC1 AC050475 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.1 NNC1CCCC1 AC050611 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.1 O=CC1CCCC1 AC020554 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.1 O=CC1CCOC1 AC220027 [0,1,0,1,0,0|0,0,1]=3 216 B7R1.1 OCC1CC=CC1 AC181767 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.1 OCC1CCCC1 AC180018 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.1 OCC1CCCN1 AC510796 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.1 OCC1CCCO1 AC190177 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.1 OCC1CCOC1 AC220020 [0,1,0,1,0,0|0,0,0]=2 221 B7R1.1 OC[C@@H]1CCCN1 AC180094 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.1 OC[C@H]1CCCN1 AC190243 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.2 CN1CCC(C1)O LN00004977 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.2 CN1CCC(N)C1 AC182540 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 CN1CCC(O)C1 AC021691 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.3 BrC1CCNCC1 AC511729 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.3 BrC1CCOCC1 AC182117 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.3 C1CSCCC1O LN00163913 [0,1,0,1,0,0|1,1,0]=4 233 B7R1.3 C=C1CCOCC1 AC220043 [0,1,0,1,0,0|0,0,2]=4 234 B7R1.3 CC1=CCCCC1 AC220166 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.3 CC1=CCNCC1 AC250025 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.3 CC1=CCOCC1 AC220042 [0,1,0,1,0,0|0,0,1]=3 237 B7R1.3 CC1CNCCO1 AC182283 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.3 CC1CNCCO1 LN00002207 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.3 CC1COCCN1 LN00001061 [0,1,0,1,0,0|0,0,0]=2 240 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,1,0,1,0,0|0,0,0]=2 242 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 C[C@H]1COCCN1 AC020353 [0,1,0,1,0,0|0,0,0]=2 244 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,1,0,1,0,0|0,0,0]=2 245 B7R1.3 ClC1CCOCC1 AC220190 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.3 FC1CCCNC1 AC160531 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.3 IC1CCOCC1 AC220044 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.3 NC1CCCNC1 AC180284 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.3 NC1CCNCC1 AC220142 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.3 NC1CCOCC1 AC180691 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.3 NC1CCOCC1 AC220011 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.3 NC1CCSCC1 AC040153 [0,1,0,1,0,0|1,1,0]=4 253 B7R1.3 NN1CCOCC1 AC130024 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.3 N[C@@H]1CCCNC1 AC020138 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CCCOC1 AC220056 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.3 O=C1CCOCC1 AC180169 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.3 O=C1COCCN1 AC130162 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.3 OC1CCCNC1 AC180283 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.3 OC1CCCOC1 AC220041 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.3 OC1CCNCC1 AC180401 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.3 OC1CCNCC1 AC220140 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.3 OC1CCOCC1 AC220010 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.3 OC1CCSCC1 AC010334 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.3 O[C@@H]1CCCNC1 AC511587 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.3 O[C@H]1CCCNC1 AC181658 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.4 BrC1CCOC1=O AC130063 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [0,1,0,1,0,0|1,0,0]=3 272 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,1,0,1,0,0|0,0,0]=2 273 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.6 OCCN1CCC1 AC010299 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.25 CC1(CBr)COC1 AC181505 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.25 CC1(CO)COC1 AC511653 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.16 NC1CC(F)(F)C1 AC050099 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.16 OC1CC(F)(F)C1 AC010403 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.32 CC1(N)CC1(F)F AC040202 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.18 CN(C)C1CNC1 AC182419 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.19 CC(N)C1(C)CC1 AC010387 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.23 OCC1CC1(F)F AC040147 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.14 CC1(C)NCCS1 AC180306 [0,1,0,1,0,0|0,1,0]=3 293 B7R1.14 CC1(C)NCCS1 LN00173126 [0,1,0,1,0,0|0,1,0]=3 294 B7R1.14 CC1(O)CCNC1 AC160608 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.14 FC1(F)CCNC1 AC160287 [0,1,0,1,0,0|2,0,0]=4 296 B7R2.13 C1C2CNCC12 AC511975 [0,0,0,2,0,0|1,0,0]=3 297 B7R2.5 NC12CC(C1)C2 AC040195 [0,0,0,2,0,0|1,0,0]=3