0 B6R0.9 C#CC(CC)CN Z5851994475 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 CCC(C#N)NC Z2472860014 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CCC(C#N)OC Z851010100 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 CCC(CC)NC Z1262254286 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.9 CCC(CN)OC Z2168541798 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.9 CCC(CO)CO Z1198261463 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.9 CCC(CO)OC Z1255373272 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.9 CCN(CC)CC Z137796018 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.9 CCN(CC)N=O Z1255485632 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.9 CNC(CO)CO Z1939437574 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.9 COC(C#N)OC Z1255464222 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.3 CC(C#N)CO Z406338220 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CC(CN)CN Z951173758 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|0,0,1]=2 18 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.3 CCC(=O)NN Z56886418 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 COC(=O)CN Z57042020 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.3 CSC(C)CN Z844632970 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.3 NCC(=O)CN Z1198147360 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.3 NCC(F)CN Z2733320873 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 NCC(N)CN Z1203578196 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.3 NCC(O)CF Z2311274712 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.12 CCC(CC)CCO Z1198174469 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.12 CCCC(CO)OC Z2050356185 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.12 CCN(CC)CC#N Z56968509 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.12 CCN(CC)CCN Z104472254 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.12 CCNC(C#N)CC Z2858786062 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.12 CCNC(CC)CC Z2130642482 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.12 COCC(C#N)OC Z1416162543 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.12 COCC(CN)OC Z1820007612 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.12 O=CNC(CO)CO Z1259117052 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.15 C#CC(CN)C(C)C Z5582800511 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.15 CCC(C#N)N(C)C Z2858786397 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,1,0,0,0,0|0,1,0]=2 66 B7R0.15 CCC(CC)C(C)N Z728804288 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.15 CCC(CN)C(C)C Z608350088 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.15 CCC(CN)N(C)C Z367678736 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.15 CCN(CC)C(=N)C Z56757228 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.15 CCN(CC)C(=S)N Z55928942 [0,1,0,0,0,0|1,1,0]=3 75 B7R0.15 CCN(CC)C(=S)[S-] Z1522566622 [0,1,0,0,0,0|1,1,0]=3 76 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.15 COC(CN)C(C)C Z2310718859 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.15 COC(CO)C(C)C Z1898597061 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.15 COC(OC)C(C)N Z1079182758 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.15 COC(OC)C(C)O Z1167044501 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.15 CSC(CO)C(C)N Z1238540891 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.18 CCC(C)(C#N)CC Z1201618418 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.18 CCC(C)(C#N)OC Z1270207053 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.18 CCC(C)(CC)CN Z2941505587 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.18 CCC(N)(C#N)CC Z444311662 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.18 CCC(N)(CC)CO Z734151048 [0,1,0,0,0,0|0,0,2]=3 95 B7R0.18 CCC(O)(CC)CC Z449374516 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.18 CCC(O)(CC)CN Z419084794 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 C#CC1CCCN1 Z1203832764 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.1 CCC1CCNC1 Z1407004100 [0,0,0,1,0,0|1,0,1]=3 101 B7R1.1 CNC1CCCC1 Z102766802 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.1 CNC1CCOC1 Z1079260566 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 CNC1CCSC1 Z102767000 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 N#CC1CCCC1 Z285131394 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 N#CC1CCCS1 Z1201681638 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 N#CC1CCNC1 Z2679312473 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 N#CC1CCOC1 Z605647006 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|1,0,1]=3 115 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 NNC1CCCC1 Z285139110 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,0,0,1,0,0|0,0,2]=3 120 B7R1.1 O=CC1=CCSC1 Z57981092 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,0,0,1,0,0|0,0,2]=3 122 B7R1.1 O=CC1CCCC1 Z875036058 [0,0,0,1,0,0|0,0,0]=1 123 B7R1.1 O=CC1CCOC1 Z199056102 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.1 O=CC1CCSC1 Z1201681645 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.1 O=CN1CCCC1 Z1255394997 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.1 O=NN1CCOC1 Z1198157988 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|0,0,2]=3 128 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,0,0,1,0,0|0,0,0]=1 138 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,0,0,1,0,0|1,0,1]=3 139 B7R1.29 C#CC1(CC1)NC Z5610285650 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.29 CCC1(CC1)C=O Z1511776317 [0,0,0,1,0,0|0,0,0]=1 141 B7R1.29 CCC1(CC1)CN Z1354487558 [0,0,0,1,0,0|1,0,1]=3 142 B7R1.29 CCC1(CC1)NC Z2310673213 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.29 CCC1(CO1)CC Z1020679898 [0,0,0,1,0,0|0,0,2]=3 144 B7R1.29 CNC1(CC1)CO Z2065788496 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.29 COC1(CC1)C=O Z1511825466 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.29 COC1(CC1)CN Z3681227829 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.29 CSC1(CC1)C=O Z1511753214 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.29 CSC1(CC1)CN Z1258769800 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.29 N#CC1(CC1)C=O Z1767997246 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.29 N#CC1(CC1)CN Z2418413988 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.29 NCC1(CC1)CF Z2096087252 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.29 NCC1(CC1)CO Z945434614 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.29 O=CC1(CC1)CF Z1198729057 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.29 OCC1(CC1)CO Z1255465434 [0,0,0,1,0,0|1,0,2]=4 155 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,0]=3 167 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,1]=3 168 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,0]=3 179 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.1 C#CCC(N)CC Z969111798 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.1 C=CCC(N)CC Z1981870426 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|0,0,2]=4 187 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|0,0,1]=3 190 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|0,0,1]=3 191 B6R0.1 CCC(C)N=C=S Z323038722 [1,1,0,0,0,0|0,1,1]=4 192 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.1 CCC(N)COC Z825742260 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|0,0,1]=3 195 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|0,0,1]=3 196 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 CCNC(C)C#N Z2526709253 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|0,0,1]=3 207 B6R0.1 CCOC(=N)CC Z3033961910 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.1 CCSC(C)C#N Z45225009 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.1 CNC(C)COC Z815264298 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|0,0,2]=4 225 B6R0.1 COCC(N)CN Z1203580237 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.1 COCC(N)CO Z1945984156 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.1 COCC(O)CN Z271097108 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|0,0,2]=4 232 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.3 CC(C)C(C)C#N Z415654752 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.3 CC(C)C(C)CN Z415654990 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.3 CC(C)C(N)CN Z1266933925 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.3 CC(N)C(C)CO Z1203581847 [1,1,0,0,0,0|0,0,2]=4 244 B6R0.3 CC(O)C(N)CN Z1250080890 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|0,0,0]=2 247 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,0]=2 248 B6R0.3 CCC(C)C(C)N Z335455612 [1,1,0,0,0,0|0,0,1]=3 249 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.3 CCC(N)C(C)C Z823287438 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|0,0,1]=3 254 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|0,0,1]=3 255 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,0]=2 258 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 CNC(=O)C(C)Cl Z104346638 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.3 CNC(=O)C(C)N Z105197440 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.3 CNC(=O)C(C)O Z431951884 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.3 CNC(C)C(C)C Z139701846 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.3 COC(=O)C(C)N Z56968898 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.3 COC(C)C(=N)N Z1365534351 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.3 COC(C)[C@H](C)N Z1795817829 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.3 CSC(C)C(=N)N Z5622504221 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.3 CSC(C)C(C)O Z1273036711 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.8 C#CC(C)(O)CC Z1251192957 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.8 CCC(C)(C)C#N Z1079179196 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|0,0,2]=4 289 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|0,0,1]=3 291 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|0,0,2]=4 293 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|0,0,1]=3 294 B6R0.8 CCC(C)(O)CN Z419085064 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.11 CCC(CC)CCCN Z4958827133 [0,2,0,0,0,0|1,0,1]=4 296 B8R0.11 CCC(CC)CCCO Z1198265454 [0,2,0,0,0,0|0,0,2]=4 297 B8R0.11 CCC(CC)NCCN Z600492708 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.11 CCC(CC)NCCO Z335251710 [0,2,0,0,0,0|0,0,2]=4 299 B8R0.11 CCCCN(CC)N=O Z1198147487 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.11 CCNCC(CC)CC Z90513251 [0,2,0,0,0,0|1,0,1]=4 301 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|0,0,0]=2 302 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,0]=2 305 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|0,0,0]=2 307 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,2,0,0,0,0|0,0,1]=3 311 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|0,0,0]=2 312 B8R0.16 CCC(CC)CC(C)C Z3300757366 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.20 CCC(CC)C(O)CN Z802901136 [0,2,0,0,0,0|0,0,2]=4 317 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.22 CCOC(C#N)OCC Z1117910237 [0,2,0,0,0,0|1,0,1]=4 326 B8R0.22 CCOC(CN)OCC Z104477928 [0,2,0,0,0,0|1,0,1]=4 327 B8R0.22 COCC(CCN)OC Z2491464155 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.31 CCC(C)(CNC)OC Z4165522940 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.31 CCC(N)(CC)CCN Z5076669839 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.18 CC(C)C(CN)C(C)C Z1815155509 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.18 CC(C)N(N=O)C(C)C Z1198147490 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|0,0,1]=3 335 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.26 CCC(CC)S(=O)(=O)N Z954606636 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.26 CCC(CN)C(C)(F)F Z3717234675 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.26 CCN(CC)S(=O)(=O)Cl Z166630184 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.26 CCN(CC)S(=O)(=O)N Z300108382 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.26 CCN(N=O)C(C)(C)C Z1255395214 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|0,0,0]=2 349 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.10 CCC(C#N)(CC)CC Z1201617335 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.10 CCC(C#N)(CC)NC Z359508484 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.10 CCC(C#N)(CC)OC Z1270206909 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.10 CCC(CC)(CC)CN Z1416200963 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.10 CCC(CC)(CC)CO Z1270136301 [0,2,0,0,0,0|0,0,2]=4 356 B8R0.10 CCC(CC)(CN)CO Z945434714 [0,2,0,0,0,0|0,0,2]=4 357 B8R0.10 CCC(CC)(CN)SC Z1258769801 [0,2,0,0,0,0|1,0,1]=4 358 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|1,0,1]=4 359 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,1]=4 361 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|2,0,0]=4 365 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,1,0,0|2,0,0]=4 366 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 367 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,1]=4 373 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,0]=3 376 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|0,0,0]=2 381 B6R1.7 C#CC1(CC1)C Z1861999732 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|0,0,0]=2 383 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,1,0,0|1,0,0]=3 385 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|0,0,2]=4 386 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.8 C=C1CC1CN Z3454021936 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|0,0,0]=2 391 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|0,0,2]=4 393 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|0,0,0]=2 395 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|0,0,0]=2 396 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.1 C#CC1CCC(C1)N Z3215421078 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.1 C#CC1CCN(C1)C Z3305160768 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.1 C#C[C@H]1CC[C@H](C1)N Z4607393601 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,1,0,0|0,0,0]=2 404 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|0,0,0]=2 408 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.1 CN1CCC(C1)C#N Z1065764146 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.1 CN1CCC(C1)CN Z317026942 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.1 CN1CCC(C1)CO Z976730728 [0,1,0,1,0,0|0,0,2]=4 414 B8R1.1 CNC1CCN(C1)C Z2867580880 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.1 N#CC1CCC(C1)O Z1258995690 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.1 N#C[C@H]1CC[C@H](C1)N Z2375429659 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.2 C#CC1CCNCC1 Z2418193722 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.2 CCC1CNCCN1 Z3234914816 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.2 CCC1CNCCS1 Z1203735378 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.2 COC1C=CCNC1 Z3615520660 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.2 COC1CCC=CO1 Z995169098 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.2 CSC1CCNCC1 Z1201627011 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.2 N#CC1CCCCN1 Z205012332 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.2 N#CC1CCNCC1 Z969559998 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 N#CC1CCOCC1 Z440605452 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|0,0,1]=3 473 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|0,0,2]=4 477 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,1,0,0|0,0,1]=3 478 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,1,0,0|0,0,2]=4 479 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|0,0,0]=2 480 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|0,0,0]=2 481 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,1,0,0|0,0,0]=2 482 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,1,0,0|0,0,0]=2 483 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,1,0,0|0,0,0]=2 485 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.2 O=CN1CCNCC1 Z104479110 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.2 O=CN1CCOCC1 Z295197308 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.2 OCC1CC=CCC1 Z104476102 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|0,0,2]=4 495 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|0,0,2]=4 496 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|0,0,2]=4 497 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|0,0,2]=4 498 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|0,0,2]=4 499 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,1,0,0|0,0,2]=4 500 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,1,0,0|0,0,2]=4 501 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|0,0,2]=4 502 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.8 CCCC1CCNC1 Z940902738 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.8 CCNC1CCCC1 Z90513159 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.8 CNCC1CCCC1 Z1162448850 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.8 CNCC1CCOC1 Z239629088 [0,1,0,1,0,0|0,0,2]=4 509 B8R1.8 COCC1C=CCN1 Z4442497224 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.8 CSCC1CCCN1 Z839514412 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.8 CSCC1CCNC1 Z1250132642 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.8 N#CCC1CCCC1 Z804898574 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.8 NCCC1CCCC1 Z398556750 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.8 NCCC1CCCS1 Z2681242377 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.8 O/N=C/C1CCOC1 Z218486076 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.8 O=C=NC1CCCC1 Z316172554 [0,1,0,1,0,0|0,0,1]=3 519 B8R1.8 O=CCC1CCCC1 Z993017732 [0,1,0,1,0,0|0,0,0]=2 520 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.8 OCCC1CCCC1 Z397587408 [0,1,0,1,0,0|0,0,2]=4 523 B8R1.8 OCCC1CCCN1 Z1198148537 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.8 OCCC1CCNC1 Z1198184196 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.8 OCCC1CCOC1 Z1138844344 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.11 CC1CCCC1C#N Z1258611152 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|0,0,0]=2 531 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|0,0,2]=4 532 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|0,0,2]=4 533 B8R1.11 CC1OCCC1C=O Z1342837783 [0,1,0,1,0,0|0,0,0]=2 534 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|0,0,0]=2 535 B8R1.11 CCC1CCCC1N Z813018518 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|0,0,0]=2 537 B8R1.11 CCC1CCNC1C Z1723849126 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|0,0,2]=4 539 B8R1.11 CCC1NCCC1C Z1723849174 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.11 CO[C@@H]1CCN[C@@H]1C Z4509390435 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.11 CSC1CCCC1N Z1203642543 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|0,0,2]=4 552 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.11 N#CC1CCCC1N Z985148518 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.11 N#CC1CCCC1O Z409438998 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.11 NCC1CCCC1N Z951173802 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.12 CNC1CCC1OC Z2868220149 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.12 CN[C@@H]1CC[C@H]1OC Z4997554839 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.33 C=CC(NC)C1CC1 Z4497756151 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.33 CCC(NC)C1CC1 Z4663117878 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.33 COC(C=O)C1CC1 Z2178582006 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.60 CCC1(CCC1)C=O Z1222425042 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.60 CCC1(COC1)C=O Z1255359557 [0,1,0,1,0,0|0,0,0]=2 571 B8R1.60 COC1(CCC1)C=O Z2098816729 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.60 CSC1(CCC1)C=O Z1511824130 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.60 O=CC1(CCC1)CCl Z2301248860 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.60 O=CC1(CCC1)CF Z3243589447 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.82 CCCC1(CC1)CN Z1416200947 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.82 CCOC1(CC1)C=O Z2301376664 [0,1,0,1,0,0|0,0,0]=2 577 B8R1.82 CNCC1(CC1)OC Z5282566225 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.82 COCC1(CC1)C=O Z1681353686 [0,1,0,1,0,0|0,0,0]=2 579 B8R1.82 CSCC1(CC1)C=O Z3271361336 [0,1,0,1,0,0|0,0,0]=2 580 B8R1.82 CSCC1(CC1)CN Z4486482192 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.82 N#CCC1(CC1)C=O Z1511808078 [0,1,0,1,0,0|0,0,1]=3 582 B8R1.82 NCC1(CC1)CCO Z1739254979 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.82 O=CC1(CC1)CCCl Z2301245393 [0,1,0,1,0,0|0,0,0]=2 584 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|0,0,0]=2 585 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,1,0,1,0,0|0,0,2]=4 592 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|0,0,2]=4 594 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|0,0,2]=4 596 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|0,0,2]=4 597 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|0,0,0]=2 603 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,1,0,1,0,0|1,1,0]=4 610 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|0,0,2]=4 611 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,1,0,1,0,0|1,1,0]=4 630 B8R1.15 C[C@@H]1[C@H](C1(F)F)C=O Z3073208353 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.48 O=CC1CCC1(F)F Z3827377084 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.63 CC(C)C1(CC1)C=O Z1511877281 [0,1,0,1,0,0|0,0,0]=2 636 B8R1.63 CC(C)C1(CC1)CN Z1374884909 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.63 CC(N)C1(CC1)CO Z2509706150 [0,1,0,1,0,0|0,0,2]=4 638 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.63 O=CC1(CC1)C(F)F Z1278925373 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|0,0,0]=2 647 B8R1.52 C#CC1(CCCC1)N Z2785867970 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.52 C#CC1(CCCC1)O Z57953034 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.52 C=CC1(CCCC1)N Z3042074267 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.52 CC1(CCCC1)CN Z56757289 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|0,0,2]=4 653 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.52 CCC1(CCNC1)C Z979421246 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.52 CCC1(CCNC1)O Z1742055042 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.52 CCC1(CCOC1)N Z2010009859 [0,1,0,1,0,0|0,0,2]=4 660 B8R1.52 CNC1(CCCC1)C Z1895741267 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.52 N#CC1(CCCC1)O Z419078448 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.52 NC1(CCCC1)CO Z734150968 [0,1,0,1,0,0|0,0,2]=4 663 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.52 NCC1(CCCC1)O Z330827814 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,1,0,1,0,0|0,0,0]=2 667 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|0,0,2]=4 668 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,0,0,2,0,0|1,0,1]=4 669 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,2,0,0|1,0,1]=4 670 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,2,0,0|1,0,1]=4 671 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 Z2568680274 [0,0,0,2,0,0|1,0,1]=4 672 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,2,0,0|1,0,1]=4 673 B8R2.34 C1=CC2CC1CN2 Z2677505952 [0,0,0,2,0,0|2,0,0]=4 674 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,2,0,0|1,0,1]=4 675 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,2,0,0|2,0,0]=4 676 B8R2.55 C1CC2(CC2)CN1 Z1623872220 [0,0,0,2,0,0|1,0,1]=4 677 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|0,0,2]=4 678 B8R2.55 C1CNC2(C1)CC2 Z3243649141 [0,0,0,2,0,0|2,0,0]=4 679 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,2,0,0|1,0,1]=4 680 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,0]=3 681 B8R2.19 NC1CCC12CC2 Z3153432543 [0,0,0,2,0,0|1,0,1]=4