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|1,0,2]=3 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|1,0,2]=3 4 B5R0.1 CN(C)CCBr AC500092 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CN(C)CCBr LN00009696 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CN(C)NC=O AC021455 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 C[C@@H](O)CCO AC500114 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 C[C@H](N)CCO AC512035 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 CC(=C)CBr AC500207 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(=O)CN AC511171 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(C)NN AC130058 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(C)ON AC511892 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(N)CO AC510879 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CNN(C)C AC021456 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](O)CN AC180581 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@H](N)CO AC511021 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.2 BrCCC#N AC130357 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 C=CCNN LN00005406 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CNCC#N AC180278 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 CNCCN AC182659 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 CNCCO AC500171 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 ClCCCI AC511281 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 NCCC#N AC130167 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 OCCC#C AC180055 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 OCCC#N AC130358 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 OCCCBr AC500014 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 OCCCO AC510799 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 CCC(C)CNC AC010501 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CCC(C)CNC AC010533 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CCCC(C)NC AC010486 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.1 CCCC(C)NC AC010524 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 CCC[C@H](N)CO AC020141 [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 B6R0.2 CC(C)CB(O)O AC090213 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.2 CC(C)CB(O)O LN00119640 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|0,0,0]=1 37 B6R0.2 CC(N)CN(C)C AC020477 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.2 CN(C)CC(O)=O AC130146 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.2 CN(C)CC(O)=O AC130178 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.2 NC(=N)CC(N)=O AC500311 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.3 CNC(C)C(C)C AC010479 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 CNC(C)C(C)C AC010530 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 COC(=O)C(C)C AC130130 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.4 CC(C)CCCO AC510897 [0,1,0,0,0,0|0,0,2]=3 50 B6R0.4 CC(C)OCCBr AC512105 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.4 CN(C)/C=C/C=O AC021056 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.4 CN(C)CCCBr AC182623 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.4 CN(C)CCCCl AC500093 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.4 CN(C)CCCCl AC512046 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 CNCCC(C)C AC010487 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.4 CNCCC(C)C AC010537 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.5 CC(C)(C)CCBr AC020699 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.5 CNCC(C)(C)C AC010541 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.5 CNCC(C)(C)C AC010542 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,1,0,0,0,0|1,0,2]=4 61 B6R1.2 BrC1CCOC1 AC190141 [0,0,0,1,0,0|1,0,2]=4 62 B6R1.2 C1CNCC1F LN00001937 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 C1COCC1I LN00003379 [0,0,0,1,0,0|1,0,2]=4 65 B6R1.2 C1COC[C@H]1O LN00007278 [0,0,0,1,0,0|1,0,2]=4 66 B6R1.2 CC1CCNC1 LN00002080 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.2 ClC1CCOC1 AC220018 [0,0,0,1,0,0|1,0,2]=4 69 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 F[C@H]1CCNC1 AC511044 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 IC1CCOC1 AC220019 [0,0,0,1,0,0|1,0,2]=4 72 B6R1.2 NC1CCNC1 AC220157 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.2 NC1CCOC1 AC220015 [0,0,0,1,0,0|1,0,2]=4 74 B6R1.2 OC1CC=CC1 AC181108 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 OC1CCCC1 AC190215 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 OC1CCNC1 AC181524 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 OC1CCOC1 AC021063 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.2 O[C@H]1CCNC1 AC021101 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 O[C@H]1CCNC1 AC510620 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.2 O[C@H]1CCOC1 AC180577 [0,0,0,1,0,0|1,0,2]=4 82 B6R1.3 O=CNC1CC1 AC021249 [0,0,0,1,0,0|1,0,0]=2 83 B6R1.5 NC1CC(O)C1 AC182699 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.5 OC1CC(F)C1 AC010459 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [0,0,0,1,0,0|1,0,1]=3 86 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [0,0,0,1,0,0|0,0,2]=3 87 B6R1.10 CC1(C)CNC1 AC182563 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.10 CC1(O)COC1 AC511231 [0,0,0,1,0,0|3,0,0]=4 89 B3R0.1 CCC[CH2-] AC310111 [2,0,0,0,0,0|0,0,1]=3 90 B3R0.1 NCCBr AC500278 [2,0,0,0,0,0|2,0,0]=4 91 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 92 B3R0.1 NCCS HY-77591A [2,0,0,0,0,0|1,1,0]=4 93 B3R0.1 OCCF AC500326 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.2 CC(=O)[O-] LN00194400 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.2 CC([O-])=O AC180064 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.2 CC([O-])=O AC180277 [2,0,0,0,0,0|1,0,1]=4 97 B3R0.2 CC([O-])=O AC511050 [2,0,0,0,0,0|1,0,1]=4 98 B3R0.2 CN(C)C AC130299 [2,0,0,0,0,0|1,0,0]=3 99 B3R0.2 CP(C)=O AC130246 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.3 BrC(C=O)C=O AC181018 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.3 C(C(CN)O)N LN00002764 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.3 NC(CO)CO AC500076 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.3 NCC(O)CN AC131522 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.3 NCC(O)CO AC180224 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 NC[C@@H](O)CO AC181109 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.3 OC[C@@H](O)CCl AC510842 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.4 CC(C)(C)NN AC190172 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.4 CC(C)(C)ON AC210024 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.4 CC(C)(F)CO AC130344 [1,1,0,0,0,0|0,0,1]=3 111 B5R0.4 CC(C)(O)CN AC500020 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.4 CC(C)(O)CO AC511880 [1,1,0,0,0,0|0,0,1]=3 113 B5R0.4 CC(F)(F)CO AC220122 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.5 CC(=O)C(O)=O AC500188 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.5 CC(C(=N)O)N LN00156053 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.5 CC(C)B(O)O AC190241 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.2 BrCCCC#N AC190285 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.2 BrCCCC=C AC500173 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.2 C#CCCCN LN00001154 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.2 C(CCI)CCl LN00199790 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.2 CCO\C=C\Br LN00003736 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.2 CNCCCO AC510766 [1,1,0,0,0,0|0,0,2]=4 123 B5R0.2 COCCNN LN00005546 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.2 ClCCCC#N AC130176 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 NCCCCBr AC511924 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.2 NCCCCO AC180225 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.2 OCCCC#N AC130359 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.2 OCCCCBr AC030135 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.2 CC(=CN(C)C)C=O LN02184528 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,2,0,0,0,0|0,0,0]=2 131 B7R0.2 CN(C)/C=C(\C)C=O AC020988 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.9 CC(C)(C)CC(O)=O AC511458 [0,2,0,0,0,0|0,0,0]=2 133 B7R0.9 CC(C)(C)OC(N)=O AC130255 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.9 CC(C)(N)CC(O)=O AC182782 [0,2,0,0,0,0|0,0,0]=2 135 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.9 CS(=O)(=O)CC(O)=O AC511075 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.9 C[N+](C)(C)CC(O)=O HY-N0739 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.9 C[N+](C)(C)CC([O-])=O HY-B0710 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,2,0,0,0,0|0,0,0]=2 140 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.14 CC(C)(C)[C@@H](CO)N LN00225874 [0,2,0,0,0,0|0,0,2]=4 144 B7R0.6 CC(=O)CCC(C)=O AC130061 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.6 CC(C)NNC(C)=O AC021553 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.6 CN(C)/C=C/[N+]([O-])=O AC010052 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.6 CN(C)CCC(O)=O AC511515 [0,2,0,0,0,0|1,0,0]=3 148 B5R1.2 BrC1COC1 AC040038 [1,0,0,1,0,0|1,0,1]=4 149 B5R1.2 C1C(CO1)N LN00218236 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.2 CC1CNC1 LN00002078 [1,0,0,1,0,0|1,0,0]=3 151 B5R1.2 FC1CNC1 AC160493 [1,0,0,1,0,0|2,0,0]=4 152 B5R1.2 IC1COC1 AC510710 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.2 NC1COC1 AC050462 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.2 OC1CNC1 AC181502 [1,0,0,1,0,0|2,0,0]=4 155 B5R1.2 OC1COC1 AC510959 [1,0,0,1,0,0|1,0,1]=4 156 B5R1.3 C1CC1NN LN01252087 [1,0,0,1,0,0|2,0,0]=4 157 B5R1.3 N#CC1CC1 AC130285 [1,0,0,1,0,0|1,0,1]=4 158 B5R1.3 NCC1CC1 AC030129 [1,0,0,1,0,0|1,0,0]=3 159 B5R1.3 NNC1CC1 AC040018 [1,0,0,1,0,0|2,0,0]=4 160 B5R1.3 NNC1CC1 AC050915 [1,0,0,1,0,0|2,0,0]=4 161 B5R1.5 CC1(N)CC1 AC182620 [1,0,0,1,0,0|1,0,1]=4 162 B5R1.1 C1CC=CO1 AC220197 [1,0,0,1,0,0|0,0,2]=4 163 B7R1.1 BrCC1CCCC1 AC511868 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.1 BrCC1CCOC1 AC220023 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.1 C1CNCC1CO LN00335121 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.1 C1COCC1CO LN00009482 [0,1,0,1,0,0|0,0,2]=4 167 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.1 COC1CCNC1 LN00159339 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.1 ClCC1CCOC1 AC220022 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.1 ICC1CCOC1 AC220024 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.1 NCC1CCCC1 AC050593 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.1 OCC1CC=CC1 AC181767 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.1 OCC1CCCC1 AC180018 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.1 OCC1CCOC1 AC220020 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,1,0,1,0,0|1,0,0]=3 179 B7R1.3 CC1CNCCO1 AC182283 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.3 CC1CNCCO1 LN00002207 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.3 CC1COCCN1 LN00001061 [0,1,0,1,0,0|0,0,2]=4 182 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,1,0,1,0,0|0,0,2]=4 184 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.3 C[C@H]1COCCN1 AC020353 [0,1,0,1,0,0|0,0,2]=4 186 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,1,0,1,0,0|0,0,2]=4 187 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,1,0,1,0,0|0,0,2]=4 192 B7R1.10 O=C1CC(C1)C#N AC200074 [0,1,0,1,0,0|0,0,1]=3 193 B7R1.25 CC1(CBr)COC1 AC181505 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.25 CC1(CO)COC1 AC511653 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,1,0,1,0,0|1,0,0]=3 196 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.16 NC1CS(=O)(=O)C1 AC050691 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.14 CC1(C)NCCS1 AC180306 [0,1,0,1,0,0|0,1,1]=4 201 B7R1.14 CC1(C)NCCS1 LN00173126 [0,1,0,1,0,0|0,1,1]=4 202 B7R1.14 CC1(O)CCNC1 AC160608 [0,1,0,1,0,0|1,0,1]=4 203 B7R2.13 C1C2CNCC12 AC511975 [0,0,0,2,0,0|1,0,1]=4 204 B7R2.5 NC12CC(C1)C2 AC040195 [0,0,0,2,0,0|1,0,1]=4