0 B5R1.3 CNC1CC1 Z138412880 [0,0,0,0,0,0|3,0,0]=3 1 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,0,0,0|0,0,0]=0 2 B5R1.3 N#CC1CC1 Z247612572 [0,0,0,0,0,0|2,0,1]=3 3 B5R1.3 OCC1CC1 Z104479000 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.3 OCC1CO1 Z104476180 [0,0,0,0,0,0|1,0,0]=1 5 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,0,0,0|1,0,0]=1 6 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.3 ClCCC1CO1 Z1205657512 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.3 NCCC1CC1 Z1267773823 [0,1,0,0,0,0|2,0,0]=3 9 B6R1.3 O=C=NC1CC1 Z316172632 [0,1,0,0,0,0|2,0,1]=4 10 B6R1.3 O=CCC1CC1 Z905066058 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.3 OCCC1CC1 Z826525694 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.7 C#CC1(CC1)C Z1861999732 [0,1,0,0,0,0|2,0,1]=4 13 B6R1.7 C#CC1(CC1)N Z1203653659 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,0,0,0|2,0,1]=4 15 B6R1.7 CC1(CC1)CN Z1335657802 [0,1,0,0,0,0|2,0,0]=3 16 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.7 CCC1(CC1)N Z2234631229 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.7 CNC1(CC1)C Z2310723089 [0,1,0,0,0,0|3,0,0]=4 20 B6R1.7 N#CC1(CC1)N Z1741972043 [0,1,0,0,0,0|2,0,1]=4 21 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,0,0,0|2,0,0]=3 23 B6R1.8 CC1CC1C#N Z1079178904 [0,1,0,0,0,0|2,0,1]=4 24 B6R1.8 CC1CC1C=O Z1079442440 [0,1,0,0,0,0|2,0,1]=4 25 B6R1.8 CC1CC1CN Z415636622 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.8 CC1CC1CO Z397587430 [0,1,0,0,0,0|2,0,0]=3 27 B6R1.8 CC1OC1CCl Z1205657581 [0,1,0,0,0,0|0,0,0]=1 28 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,1,0,0,0,0|2,0,1]=4 30 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,1,0,0,0,0|1,1,0]=3 31 B6R1.8 O=CC1CC1Cl Z1262480603 [0,1,0,0,0,0|2,0,1]=4 32 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,1,0,0,0,0|2,0,1]=4 33 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,1,0,0,0,0|0,0,1]=2 34 B6R1.11 CC(C)C1CO1 Z1020679856 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.11 CC(N)C1CC1 Z89283349 [0,1,0,0,0,0|2,0,0]=3 36 B6R1.11 N=C(N)C1CC1 Z935140732 [0,1,0,0,0,0|2,0,1]=4 37 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 C#CC(C)O Z1251193370 [0,0,1,0,0,0|1,0,1]=3 39 B4R0.1 C=CC(C)N Z1446855743 [0,0,1,0,0,0|2,0,1]=4 40 B4R0.1 CC(=O)CN Z1262398366 [0,0,1,0,0,0|1,0,2]=4 41 B4R0.1 CC(C)NO Z1198161074 [0,0,1,0,0,0|3,0,0]=4 42 B4R0.1 CC(F)CN Z2941405027 [0,0,1,0,0,0|2,0,0]=3 43 B4R0.1 CC(N)CF Z2096088772 [0,0,1,0,0,0|1,1,0]=3 44 B4R0.1 CC(N)CN Z104474490 [0,0,1,0,0,0|2,0,0]=3 45 B4R0.1 CC(O)CN Z104477092 [0,0,1,0,0,0|1,0,0]=2 46 B4R0.1 CC(O)CO Z106938868 [0,0,1,0,0,0|1,0,0]=2 47 B4R0.1 CCC(=O)O Z104474154 [0,0,1,0,0,0|2,0,1]=4 48 B4R0.1 CCC(C)N Z104472234 [0,0,1,0,0,0|2,0,0]=3 49 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,1,0,0,0|1,0,0]=2 50 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,1,0,0,0|2,0,0]=3 51 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,1,0,0,0|2,0,0]=3 52 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,1,0,0,0|1,0,0]=2 53 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,1,0,0,0|2,0,0]=3 54 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,1,0,0,0|1,0,0]=2 55 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,1,0,0,0|1,0,0]=2 56 B4R0.1 N=C(N)CCl Z204878288 [0,0,1,0,0,0|2,0,1]=4 57 B4R0.1 NCC(=O)O Z955123660 [0,0,1,0,0,0|2,0,1]=4 58 B4R0.1 NCC(F)F Z1295543893 [0,0,1,0,0,0|3,0,0]=4 59 B4R0.1 O=C(O)CBr Z104473018 [0,0,1,0,0,0|1,1,1]=4 60 B4R0.1 O=C(O)CO Z104473274 [0,0,1,0,0,0|2,0,1]=4 61 B4R0.1 OCC(F)F Z397587054 [0,0,1,0,0,0|3,0,0]=4 62 B4R0.2 C#CCCN Z1267881669 [0,0,1,0,0,0|2,0,1]=4 63 B4R0.2 CC#CCN Z1713595498 [0,0,1,0,0,0|2,0,1]=4 64 B4R0.2 CCCC#N Z238878246 [0,0,1,0,0,0|2,0,1]=4 65 B4R0.2 CCCCN Z104474314 [0,0,1,0,0,0|2,0,0]=3 66 B4R0.2 CCCCO Z104473488 [0,0,1,0,0,0|1,0,0]=2 67 B4R0.2 CCCNN Z415728048 [0,0,1,0,0,0|3,0,0]=4 68 B4R0.2 CNCC#N Z1262250834 [0,0,1,0,0,0|2,0,1]=4 69 B4R0.2 COCC#N Z86023357 [0,0,1,0,0,0|1,0,1]=3 70 B4R0.2 COCCO Z104473522 [0,0,1,0,0,0|1,0,0]=2 71 B4R0.2 CSCCO Z149154880 [0,0,1,0,0,0|1,1,0]=3 72 B4R0.2 N#CCCN Z1895741700 [0,0,1,0,0,0|2,0,1]=4 73 B4R0.2 NC/C=C/Cl Z2941400887 [0,0,1,0,0,0|1,0,2]=4 74 B4R0.2 NCCCN Z104478068 [0,0,1,0,0,0|2,0,0]=3 75 B4R0.2 NCCCO Z56771034 [0,0,1,0,0,0|1,0,0]=2 76 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,0,0,1|2,0,0]=3 77 B6R1.6 CNC1CCC1 Z1263820270 [0,0,0,0,0,1|3,0,0]=4 78 B6R1.6 COC1CNC1 Z1267773781 [0,0,0,0,0,1|3,0,0]=4 79 B6R1.6 N#CC1CCC1 Z406694072 [0,0,0,0,0,1|2,0,1]=4 80 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,0,0,1|2,0,0]=3 81 B6R1.6 NCC1CNC1 Z1198274908 [0,0,0,0,0,1|2,0,0]=3 82 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,0,0,1|2,0,1]=4 83 B3R0.1 C=CCO Z104473976 [1,0,1,0,0,0|0,0,2]=4 84 B3R0.1 NCCF Z1966571823 [1,0,1,0,0,0|1,1,0]=4 85 B3R0.1 NCCN Z104473714 [1,0,1,0,0,0|2,0,0]=4 86 B3R0.1 NCCO Z104473700 [1,0,1,0,0,0|1,0,0]=3 87 B3R0.1 NCCS Z104474494 [1,0,1,0,0,0|1,1,0]=4 88 B3R0.1 OCCS Z104473584 [1,0,1,0,0,0|1,0,0]=3 89 B3R0.2 CC(=O)O Z1954803614 [1,0,1,0,0,0|1,0,1]=4 90 B5R0.1 C#CCC(C)N Z3490223481 [0,1,1,0,0,0|2,0,0]=4 91 B5R0.1 C#CCC(C)O Z969111576 [0,1,1,0,0,0|1,0,0]=3 92 B5R0.1 C=CCC(C)N Z1269638561 [0,1,1,0,0,0|2,0,0]=4 93 B5R0.1 CC(C)CC#N Z104473272 [0,1,1,0,0,0|2,0,0]=4 94 B5R0.1 CC(C)CCO Z104473558 [0,1,1,0,0,0|2,0,0]=4 95 B5R0.1 CC(N)CC#N Z1267773800 [0,1,1,0,0,0|2,0,0]=4 96 B5R0.1 CC(N)CCO Z385458430 [0,1,1,0,0,0|2,0,0]=4 97 B5R0.1 CC(O)CC#N Z847151284 [0,1,1,0,0,0|1,0,0]=3 98 B5R0.1 CC(O)CCN Z802904114 [0,1,1,0,0,0|1,0,0]=3 99 B5R0.1 CC(O)CCO Z104473530 [0,1,1,0,0,0|1,0,0]=3 100 B5R0.1 CCCC(C)N Z2417819590 [0,1,1,0,0,0|2,0,0]=4 101 B5R0.1 CNCC(C)C Z951367674 [0,1,1,0,0,0|2,0,0]=4 102 B5R0.1 CNCC(C)N Z1413780485 [0,1,1,0,0,0|2,0,0]=4 103 B5R0.1 CNCC(C)O Z138692700 [0,1,1,0,0,0|1,0,0]=3 104 B5R0.1 COCC(C)O Z825742124 [0,1,1,0,0,0|1,0,0]=3 105 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,1,0,0,0|2,0,0]=4 106 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,1,0,0,0|2,0,0]=4 107 B5R0.1 CSCC(C)O Z732208306 [0,1,1,0,0,0|1,0,0]=3 108 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,1,0,0,0|2,0,0]=4 109 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,1,0,0,0|1,0,0]=3 110 B5R0.1 O=C(O)CCCl Z203045320 [0,1,1,0,0,0|1,0,1]=4 111 B5R0.3 CC(C#N)CO Z406338220 [0,1,1,0,0,0|1,0,1]=4 112 B5R0.3 CC(CN)CN Z951173758 [0,1,1,0,0,0|2,0,0]=4 113 B5R0.3 CC(CN)CO Z406342068 [0,1,1,0,0,0|1,0,0]=3 114 B5R0.3 CC(CO)CS Z1262475362 [0,1,1,0,0,0|1,0,0]=3 115 B5R0.3 CCC(C)CN Z2350903977 [0,1,1,0,0,0|2,0,0]=4 116 B5R0.3 CCC(C)NC Z594038230 [0,1,1,0,0,0|2,0,0]=4 117 B5R0.3 CCC(N)CN Z1263714131 [0,1,1,0,0,0|2,0,0]=4 118 B5R0.3 CCC(N)CO Z104474862 [0,1,1,0,0,0|2,0,0]=4 119 B5R0.3 CCC(O)C#N Z419078094 [0,1,1,0,0,0|1,0,1]=4 120 B5R0.3 CCC(O)CN Z419084746 [0,1,1,0,0,0|1,0,0]=3 121 B5R0.3 CCC(O)CO Z600450538 [0,1,1,0,0,0|1,0,0]=3 122 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,1,0,0,0|2,0,0]=4 123 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,1,0,0,0|2,0,0]=4 124 B5R0.3 CNC(=O)CCl Z56891219 [0,1,1,0,0,0|0,0,2]=4 125 B5R0.3 CNC(C)CN Z941154208 [0,1,1,0,0,0|2,0,0]=4 126 B5R0.3 COC(C)CN Z1795817756 [0,1,1,0,0,0|1,0,0]=3 127 B5R0.3 COC(C)CO Z1198150719 [0,1,1,0,0,0|1,0,0]=3 128 B5R0.3 CSC(C)CN Z844632970 [0,1,1,0,0,0|1,1,0]=4 129 B5R0.3 CSC(C)CO Z1273053291 [0,1,1,0,0,0|1,1,0]=4 130 B5R0.3 NC(CO)CO Z1203577940 [0,1,1,0,0,0|2,0,0]=4 131 B5R0.3 NCC(F)CN Z2733320873 [0,1,1,0,0,0|2,0,0]=4 132 B5R0.3 NCC(N)CN Z1203578196 [0,1,1,0,0,0|2,0,0]=4 133 B5R0.3 NCC(O)CF Z2311274712 [0,1,1,0,0,0|0,1,0]=3 134 B5R0.3 OCC(O)CO Z104473548 [0,1,1,0,0,0|1,0,0]=3 135 B5R0.3 OCC(O)CS Z1255382958 [0,1,1,0,0,0|1,0,0]=3 136 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,1,0,0,0|1,0,1]=4 137 B5R0.4 CC(C)(C)CN Z291234094 [0,1,1,0,0,0|2,0,0]=4 138 B5R0.4 CC(C)(C)CO Z397587176 [0,1,1,0,0,0|2,0,0]=4 139 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,1,0,0,0|2,0,0]=4 140 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,1,0,0,0|1,0,1]=4 141 B5R0.4 CC(C)(O)CO Z600454414 [0,1,1,0,0,0|1,0,0]=3 142 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,1,0,0,0|2,0,0]=4 143 B5R0.4 CCC(C)(C)N Z104480062 [0,1,1,0,0,0|2,0,0]=4 144 B5R0.4 CCC(C)(C)O Z104473496 [0,1,1,0,0,0|1,0,0]=3 145 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,1,0,0,0|1,0,1]=4 146 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,1,0,0,0|2,0,0]=4 147 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,1,0,0,0|1,0,1]=4 148 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,1,0,0,0|1,0,1]=4 149 B5R0.5 CC(O)C(C)O Z104473532 [0,1,1,0,0,0|1,0,0]=3 150 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,1,0,0,0|1,0,1]=4 151 B5R0.2 C#CCCCN Z1945700461 [0,1,1,0,0,0|2,0,0]=4 152 B5R0.2 C#CCCNC Z3270794267 [0,1,1,0,0,0|2,0,0]=4 153 B5R0.2 C/C=C/CCN Z1268152372 [0,1,1,0,0,0|2,0,0]=4 154 B5R0.2 C=CCCCN Z993058434 [0,1,1,0,0,0|2,0,0]=4 155 B5R0.2 CC#CCCO Z1033337288 [0,1,1,0,0,0|1,0,1]=4 156 B5R0.2 CCCCC=O Z104472992 [0,1,1,0,0,0|1,0,1]=4 157 B5R0.2 CCCCCN Z104472246 [0,1,1,0,0,0|2,0,0]=4 158 B5R0.2 CCCNCC Z138446288 [0,1,1,0,0,0|2,0,0]=4 159 B5R0.2 CCNCCF Z1198305484 [0,1,1,0,0,0|1,1,0]=4 160 B5R0.2 CCNCCO Z1258992395 [0,1,1,0,0,0|1,0,0]=3 161 B5R0.2 CCNOCC Z223690220 [0,1,1,0,0,0|2,0,0]=4 162 B5R0.2 CCOCC#N Z295205412 [0,1,1,0,0,0|1,0,1]=4 163 B5R0.2 CCOCCN Z271005962 [0,1,1,0,0,0|1,0,0]=3 164 B5R0.2 CCOCCO Z104473122 [0,1,1,0,0,0|1,0,0]=3 165 B5R0.2 CCSCCN Z3061111063 [0,1,1,0,0,0|1,1,0]=4 166 B5R0.2 CNCCCO Z104756980 [0,1,1,0,0,0|1,0,0]=3 167 B5R0.2 CNCCOC Z1259162131 [0,1,1,0,0,0|1,0,0]=3 168 B5R0.2 CNCCSC Z1398461959 [0,1,1,0,0,0|1,1,0]=4 169 B5R0.2 COCCC#N Z277467992 [0,1,1,0,0,0|1,0,0]=3 170 B5R0.2 COCCCO Z431517702 [0,1,1,0,0,0|1,0,0]=3 171 B5R0.2 COCCOC Z104473014 [0,1,1,0,0,0|1,0,0]=3 172 B5R0.2 N#CCCCN Z1649677743 [0,1,1,0,0,0|2,0,0]=4 173 B5R0.2 N#CCCCO Z385458622 [0,1,1,0,0,0|1,0,0]=3 174 B5R0.2 NCCCCF Z2177031126 [0,1,1,0,0,0|1,1,0]=4 175 B5R0.2 NCCCCN Z104472592 [0,1,1,0,0,0|2,0,0]=4 176 B5R0.2 OC/C=C/CO Z237581088 [0,1,1,0,0,0|1,0,1]=4 177 B5R1.4 CC1CC1N Z406520774 [1,1,0,0,0,0|1,0,0]=3 178 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,1,0,0,0,0|1,0,0]=3 179 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,0,0,1|2,0,0]=4 180 B7R1.6 CCNC1CCC1 Z2144245483 [0,1,0,0,0,1|2,0,0]=4 181 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,0,0,1|2,0,0]=4 182 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,0,0,1|2,0,0]=4 183 B7R1.6 N#CCC1CCC1 Z1198184443 [0,1,0,0,0,1|2,0,0]=4 184 B7R1.6 N#CCC1CNC1 Z2512942957 [0,1,0,0,0,1|2,0,0]=4 185 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,0,0,1|2,0,0]=4 186 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,0,0,1|2,0,0]=4 187 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,0,0,1|1,0,0]=3 188 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,0,0,1|2,0,0]=4 189 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,0,0,1|2,0,0]=4 190 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,1,0,0,0,1|2,0,0]=4 191 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,1,0,0,0,1|2,0,0]=4 192 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,0,0,1|2,0,0]=4 193 B7R1.18 FC(F)C1CCN1 Z2230912640 [0,1,0,0,0,1|1,1,0]=4 194 B7R1.18 FC(F)C1CNC1 Z1442017309 [0,1,0,0,0,1|1,1,0]=4 195 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,0,0,1|2,0,0]=4 196 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,0,0,1|1,0,1]=4 197 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,0,0,1|2,0,0]=4 198 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,0,0,1|2,0,0]=4 199 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,1,0,0,0,1|2,0,0]=4 200 B7R1.25 NCC1(CCC1)F Z1862011799 [0,1,0,0,0,1|2,0,0]=4 201 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,0,0,1|2,0,0]=4 202 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,0,0,1|2,0,0]=4 203 B7R1.5 CC1CC1CCN Z4888675966 [0,2,0,0,0,0|2,0,0]=4 204 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,2,0,0,0,0|2,0,0]=4 205 B7R1.5 CNCC1CC1C Z3752925195 [0,2,0,0,0,0|2,0,0]=4 206 B7R1.7 C#CCNC1CC1 Z138414626 [0,2,0,0,0,0|2,0,0]=4 207 B7R1.7 C=CCCC1CO1 Z1255485443 [0,2,0,0,0,0|1,0,0]=3 208 B7R1.7 C=CCNC1CC1 Z2142036642 [0,2,0,0,0,0|2,0,0]=4 209 B7R1.7 CCCCC1CO1 Z1020679810 [0,2,0,0,0,0|1,0,0]=3 210 B7R1.7 CCNCC1CC1 Z1692483163 [0,2,0,0,0,0|2,0,0]=4 211 B7R1.7 CCOCC1CO1 Z271128258 [0,2,0,0,0,0|1,0,0]=3 212 B7R1.7 CNCCC1CC1 Z1480642691 [0,2,0,0,0,0|2,0,0]=4 213 B7R1.7 COCCC1CO1 Z1495386141 [0,2,0,0,0,0|1,0,0]=3 214 B7R1.7 FCCNC1CC1 Z5629279666 [0,2,0,0,0,0|1,1,0]=4 215 B7R1.7 N#CCNC1CC1 Z235643824 [0,2,0,0,0,0|2,0,0]=4 216 B7R1.7 NCC#CC1CC1 Z3016946155 [0,2,0,0,0,0|2,0,0]=4 217 B7R1.7 NCCCC1CC1 Z2465611603 [0,2,0,0,0,0|2,0,0]=4 218 B7R1.7 NCCNC1CC1 Z756920128 [0,2,0,0,0,0|2,0,0]=4 219 B7R1.7 NCCOC1CC1 Z2786559006 [0,2,0,0,0,0|2,0,0]=4 220 B7R1.7 O=C=NCC1CC1 Z826525040 [0,2,0,0,0,0|2,0,0]=4 221 B7R1.7 O=CCCC1CC1 Z1233208002 [0,2,0,0,0,0|2,0,0]=4 222 B7R1.7 OCCNC1CC1 Z285050134 [0,2,0,0,0,0|2,0,0]=4 223 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,2,0,0,0,0|2,0,0]=4 224 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,2,0,0,0,0|1,0,0]=3 225 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,2,0,0,0,0|2,0,0]=4 226 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,2,0,0,0,0|2,0,0]=4 227 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,2,0,0,0,0|2,0,0]=4 228 B7R1.21 CC1(CC1)CCO Z1813155991 [0,2,0,0,0,0|2,0,0]=4 229 B7R1.21 CC1(CO1)CCO Z1486026620 [0,2,0,0,0,0|1,0,0]=3 230 B7R1.21 CCCC1(CC1)N Z3072982019 [0,2,0,0,0,0|2,0,0]=4 231 B7R1.21 CCCC1(CO1)C Z1020679916 [0,2,0,0,0,0|1,0,0]=3 232 B7R1.21 CNCC1(CC1)F Z3243520361 [0,2,0,0,0,0|2,0,0]=4 233 B7R1.21 CNCC1(CC1)N Z5185499776 [0,2,0,0,0,0|2,0,0]=4 234 B7R1.21 COCC1(CC1)N Z2301519229 [0,2,0,0,0,0|2,0,0]=4 235 B7R1.21 COCC1(CO1)C Z1020679792 [0,2,0,0,0,0|1,0,0]=3 236 B7R1.21 NC1(CC1)CCO Z2211231673 [0,2,0,0,0,0|2,0,0]=4 237 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,2,0,0,0,0|2,0,0]=4 238 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,2,0,0,0,0|2,0,0]=4 239 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,2,0,0,0,0|2,0,0]=4 240 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,2,0,0,0,0|2,0,0]=4 241 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,2,0,0,0,0|2,0,0]=4 242 B7R1.22 CNC(C)C1CC1 Z270730248 [0,2,0,0,0,0|2,0,0]=4 243 B7R1.22 ClCC(Cl)C1CO1 Z1205657751 [0,2,0,0,0,0|0,0,0]=2 244 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,2,0,0,0,0|2,0,0]=4 245 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,2,0,0,0,0|2,0,0]=4 246 B7R1.22 NCC(N)C1CC1 Z445154916 [0,2,0,0,0,0|2,0,0]=4 247 B7R1.22 NCC(O)C1CC1 Z802856322 [0,2,0,0,0,0|2,0,0]=4 248 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,2,0,0,0,0|2,0,0]=4 250 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,2,0,0,0,0|1,0,1]=4 251 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,2,0,0,0,0|2,0,0]=4 252 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,2,0,0,0,0|1,0,0]=3 253 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,2,0,0,0,0|2,0,0]=4 254 B7R1.29 CCC1(CC1)C=O Z1511776317 [0,2,0,0,0,0|2,0,0]=4 255 B7R1.29 CCC1(CC1)CN Z1354487558 [0,2,0,0,0,0|2,0,0]=4 256 B7R1.29 CCC1(CC1)NC Z2310673213 [0,2,0,0,0,0|2,0,0]=4 257 B7R1.29 CCC1(CO1)CC Z1020679898 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.29 CNC1(CC1)CO Z2065788496 [0,2,0,0,0,0|2,0,0]=4 259 B7R1.29 COC1(CC1)CN Z3681227829 [0,2,0,0,0,0|2,0,0]=4 260 B7R1.29 CSC1(CC1)CN Z1258769800 [0,2,0,0,0,0|2,0,0]=4 261 B7R1.29 ClCC1(CO1)CCl Z1205657482 [0,2,0,0,0,0|0,0,0]=2 262 B7R1.29 N#CC1(CC1)CN Z2418413988 [0,2,0,0,0,0|2,0,0]=4 263 B7R1.29 NCC1(CC1)CF Z2096087252 [0,2,0,0,0,0|1,1,0]=4 264 B7R1.29 NCC1(CC1)CO Z945434614 [0,2,0,0,0,0|2,0,0]=4 265 B7R1.29 O=CC1(CC1)CF Z1198729057 [0,2,0,0,0,0|1,1,0]=4 266 B7R1.29 OCC1(CC1)CO Z1255465434 [0,2,0,0,0,0|2,0,0]=4 267 B7R1.9 CCC1CC1C=O Z1513989944 [0,2,0,0,0,0|2,0,0]=4 268 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,2,0,0,0,0|2,0,0]=4 269 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,2,0,0,0,0|2,0,0]=4 270 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,2,0,0,0,0|0,0,0]=2 271 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,2,0,0,0,0|2,0,0]=4 272 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,2,0,0,0,0|2,0,0]=4 273 B7R1.23 CC1(CC1CN)C Z1267773739 [0,2,0,0,0,0|2,0,0]=4 274 B7R1.23 CC1(CC1CO)C Z1198310193 [0,2,0,0,0,0|2,0,0]=4 275 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,2,0,0,0,0|1,0,1]=4 277 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,2,0,0,0,0|0,0,0]=2 278 B7R1.23 CC1(OC1CO)C Z1486035926 [0,2,0,0,0,0|1,0,0]=3 279 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,2,0,0,0,0|1,0,0]=3 280 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,2,0,0,0,0|1,0,0]=3 281 B7R1.23 NCC1CC1(Br)Br Z4444281855 [0,2,0,0,0,0|2,0,0]=4 282 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,2,0,0,0,0|1,0,0]=3 283 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,2,0,0,0,0|1,0,0]=3 284 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,2,0,0,0,0|2,0,0]=4 285 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.26 ClC(Cl)(Cl)C1CO1 Z1198149424 [0,2,0,0,0,0|0,0,0]=2 287 B5R1.2 NC1CCC1 Z1266823158 [0,0,1,1,0,0|2,0,0]=4 288 B5R1.2 NC1COC1 Z317054188 [0,0,1,1,0,0|2,0,0]=4 289 B5R1.2 OC1CNC1 Z1012638850 [0,0,1,1,0,0|1,0,0]=3 290 B5R1.2 OC1COC1 Z1123686553 [0,0,1,1,0,0|1,0,0]=3 291 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,1,0,1|2,0,0]=4 292 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,1,0,1|2,0,0]=4 293 B7R2.1 C1CC1C2CO2 Z1020679808 [0,1,0,1,0,0|1,0,0]=3 294 B7R2.3 NC1CC12CC2 Z2379087701 [0,1,0,1,0,0|2,0,0]=4 295 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,1,0,1,0,0|1,0,0]=3 296 B7R2.13 C1CC2CC2N1 Z1964347529 [0,1,0,1,0,0|2,0,0]=4 297 B7R2.13 C1CC2OC2C1 Z255149904 [0,1,0,1,0,0|1,0,0]=3 298 B7R2.13 C1NCC2C1C2 Z1270630267 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,0,0,2|0,1,0]=3 300 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,0,0,2|2,0,0]=4 301 B7R1.1 CCC1CCNC1 Z1407004100 [0,0,0,0,0,2|2,0,0]=4 302 B7R1.1 CNC1CCOC1 Z1079260566 [0,0,0,0,0,2|2,0,0]=4 303 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,0,0,2|0,0,0]=2 304 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,0,0,2|1,1,0]=4 305 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,0,0,2|1,0,1]=4 306 B7R1.1 N#CC1CCOC1 Z605647006 [0,0,0,0,0,2|1,0,1]=4 307 B7R1.1 NCC1=NOCC1 Z3217343112 [0,0,0,0,0,2|1,0,1]=4 308 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,0,0,2|2,0,0]=4 309 B7R1.1 NCC1CC=CC1 Z2310699469 [0,0,0,0,0,2|2,0,0]=4 310 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,0,0,2|2,0,0]=4 311 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,0,0,2|1,1,0]=4 312 B7R1.1 NCC1COCO1 Z2298138033 [0,0,0,0,0,2|1,0,0]=3 313 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,0,0,2|2,0,0]=4 314 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,0,0,2|2,0,0]=4 315 B7R1.1 O=CC1CCOC1 Z199056102 [0,0,0,0,0,2|1,0,1]=4 316 B7R1.1 OCC1CC=CC1 Z1201622687 [0,0,0,0,0,2|2,0,0]=4 317 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,0,0,2|2,0,0]=4 318 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,0,0,2|2,0,0]=4 319 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,0,0,2|1,1,0]=4 320 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,0,0,2|2,0,0]=4 321 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,0,0,2|1,0,0]=3 322 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,0,0,2|1,1,0]=4 323 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,0,0,2|2,0,0]=4