0 B4R0.2 BrCCCBr D69412 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCN B40327 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C#CCCO B26554 [0,0,0,0,0,0|1,1,1]=3 3 B4R0.2 C#CCNC M60803 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C#CCON P6115 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C=CCCN B21913 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C=CCCO B40252 [0,0,0,0,0,0|1,1,1]=3 7 B4R0.2 C=CCON A39923 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 CC#CCO H64582 [0,0,0,0,0,0|1,1,2]=4 9 B4R0.2 CCCNN P39906 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 CNCC#N M39141 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 CNCCBr B38473 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.2 CNCCCl C39886 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 COCCBr B39138 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 COCCI K39881 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 CSCCN M62136 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 ClCCCI C1367 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 ICCCI D39865 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 N#CCCN C64951 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 N#CCCO H67414 [0,0,0,0,0,0|1,1,1]=3 20 B4R0.2 N#CCCS M39860 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.2 NCCCCl C37835 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 NCCCO A69322 [0,0,0,0,0,0|1,1,0]=2 23 B4R0.2 NOCCO A39786 [0,0,0,0,0,0|2,1,0]=3 24 B4R0.2 OCC#CI I9917 [0,0,0,0,0,0|1,1,2]=4 25 B4R0.2 OCCCBr B39137 [0,0,0,0,0,0|1,1,0]=2 26 B4R0.2 OCCCO P69117 [0,0,0,0,0,0|0,2,0]=2 27 B3R0.1 C#CCN P39910 [1,0,0,0,0,0|1,0,2]=4 28 B3R0.1 CCCN P62456 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.1 CCNC M39932 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 CCON E60797 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 FCCI F39767 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 N#CCI K39764 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 N#CCN A68631 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 NCCBr B68074 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 NCCCl C68611 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 NCCF F39796 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 C=CC[C@H](C)O P62507 [0,1,0,0,0,0|1,1,1]=4 38 B5R0.1 CC(=O)CCCl C69539 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.1 CC(C)CNN B40316 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 CCCB(O)O P5056 [0,1,0,0,0,0|2,1,0]=4 41 B5R0.1 CCC[C@@H](C)N P16023 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 CCC[C@H](C)N P22363 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CN(C)CCBr B39953 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 COC[C@@H](C)N M40311 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.1 COC[C@@H](C)O M39959 [0,1,0,0,0,0|2,1,0]=4 46 B5R0.1 COC[C@H](C)O M61064 [0,1,0,0,0,0|2,1,0]=4 47 B5R0.1 C[C@@H](N)CCO A10772 [0,1,0,0,0,0|1,1,0]=3 48 B5R0.1 C[C@H](N)CCO A10771 [0,1,0,0,0,0|1,1,0]=3 49 B5R0.1 C[C@H](N)CCO A39964 [0,1,0,0,0,0|1,1,0]=3 50 B5R0.1 C[C@H](O)CCO B68917 [0,1,0,0,0,0|0,2,0]=3 51 B5R0.1 NCCC(N)=O A67869 [0,1,0,0,0,0|1,1,1]=4 52 B5R0.1 NCC[P@H](=O)O A39788 [0,1,0,0,0,0|2,1,0]=4 53 B5R0.1 O=[N+]([O-])CCO N39779 [0,1,0,0,0,0|1,2,0]=4 54 B5R0.1 OCCC(F)F D60407 [0,1,0,0,0,0|1,1,0]=3 55 B5R0.2 BrCCCCBr D69410 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.2 BrC\C=C\CBr D60806 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.2 C#CCCCCl C68183 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.2 C#CCCCI I8474 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.2 C#CCCCN P41368 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.2 C#CCCCO P68382 [0,1,0,0,0,0|1,1,0]=3 61 B5R0.2 C=CCCCBr B41237 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.2 C=CCCCCl C41238 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.2 C=CCCCO P36921 [0,1,0,0,0,0|1,1,0]=3 64 B5R0.2 CCCCON B40310 [0,1,0,0,0,0|1,1,0]=3 65 B5R0.2 CNCCCCl C39954 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.2 CNCCCO M36844 [0,1,0,0,0,0|1,1,0]=3 67 B5R0.2 CNCCOC M23409 [0,1,0,0,0,0|2,1,0]=4 68 B5R0.2 COCCC#N M39153 [0,1,0,0,0,0|1,1,1]=4 69 B5R0.2 COCCCBr B68335 [0,1,0,0,0,0|1,1,0]=3 70 B5R0.2 COCCCO M69411 [0,1,0,0,0,0|0,2,0]=3 71 B5R0.2 ClCC#CCCl D40070 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.2 ClCCCCI C40239 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.2 ICCCCI D37834 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.2 N#CCCCBr B67593 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.2 N#CCCCCl C64907 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.2 NCCCCBr B39952 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.2 NCCCCN D39162 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.2 NC\C=C/CCl C65470 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.2 NC\C=C/CN B69714 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 NOCCON E62368 [0,1,0,0,0,0|2,1,0]=4 81 B5R0.2 OCCCCBr B67330 [0,1,0,0,0,0|1,1,0]=3 82 B5R0.2 OC\C=C\CO B64254 [0,1,0,0,0,0|0,2,1]=4 83 B5R0.3 C=C(CBr)CBr B36829 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 C=C(CCl)CCl C10867 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 C=C(CO)CO M5145 [0,1,0,0,0,0|0,2,1]=4 86 B5R0.3 C=C[C@H](N)CO A40343 [0,1,0,0,0,0|1,1,1]=4 87 B5R0.3 CC(CBr)CBr D40238 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.3 CC(CO)CO M60880 [0,1,0,0,0,0|0,2,0]=3 89 B5R0.3 CCC(=O)CN A32390 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.3 CCC(=O)CO H36713 [0,1,0,0,0,0|1,1,1]=4 91 B5R0.3 CCC(N)CC P40440 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.3 CC[C@@H](N)CO A39144 [0,1,0,0,0,0|1,1,0]=3 93 B5R0.3 CC[C@@H](O)CO B39955 [0,1,0,0,0,0|1,1,0]=3 94 B5R0.3 CC[C@H](N)CO A39145 [0,1,0,0,0,0|1,1,0]=3 95 B5R0.3 CC[C@H](O)CO B39956 [0,1,0,0,0,0|1,1,0]=3 96 B5R0.3 CO[C@@H](C)CN M40313 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.3 CO[C@@H](C)CO M68380 [0,1,0,0,0,0|2,1,0]=4 98 B5R0.3 CO[C@H](C)CN M40312 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.3 CO[C@H](C)CO M68381 [0,1,0,0,0,0|2,1,0]=4 100 B5R0.3 NCC(O)CN D38498 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 NC[C@@H](O)CCl A39888 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.3 NC[C@@H](O)CO A67523 [0,1,0,0,0,0|1,1,0]=3 103 B5R0.3 NC[C@H](Br)CBr D9273 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.3 NC[C@H](O)CCl A36622 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.3 NC[C@H](O)CCl A39887 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 NC[C@H](O)CF A28629 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.3 NC[C@H](O)CO A38562 [0,1,0,0,0,0|1,1,0]=3 108 B5R0.3 NC[C@H](O)CO A67451 [0,1,0,0,0,0|1,1,0]=3 109 B5R0.3 O=C(CCl)CCl D4849 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.3 O=C[C@H](O)CO D39873 [0,1,0,0,0,0|0,2,1]=4 111 B5R0.3 OC[C@@H](O)CCl C69122 [0,1,0,0,0,0|1,1,0]=3 112 B5R0.3 OC[C@@H](O)CF F60905 [0,1,0,0,0,0|1,1,0]=3 113 B5R0.3 OC[C@H](O)CCl C68371 [0,1,0,0,0,0|1,1,0]=3 114 B5R0.3 OC[C@H](O)CF F60904 [0,1,0,0,0,0|1,1,0]=3 115 B5R1.1 C1=CCNC1 D40328 [0,0,0,1,0,0|3,0,0]=4 116 B5R1.1 C1CNNC1 P39938 [0,0,0,1,0,0|2,0,0]=3 117 B5R1.1 C1CSCN1 T38217 [0,0,0,1,0,0|2,0,0]=3 118 B5R1.1 C1CSCN1 T60563 [0,0,0,1,0,0|2,0,0]=3 119 B5R1.2 BrC1CCC1 B23687 [0,0,0,1,0,0|2,0,0]=3 120 B5R1.2 BrC1CNC1 B13326 [0,0,0,1,0,0|3,0,0]=4 121 B5R1.2 BrC1COC1 B5688 [0,0,0,1,0,0|3,0,0]=4 122 B5R1.2 CC1CNC1 M1321 [0,0,0,1,0,0|3,0,0]=4 123 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,1,0,0|2,0,0]=3 124 B5R1.2 ClC1CNC1 C1323 [0,0,0,1,0,0|3,0,0]=4 125 B5R1.2 ClC1COC1 C8470 [0,0,0,1,0,0|3,0,0]=4 126 B5R1.2 FC1CNC1 F5255 [0,0,0,1,0,0|3,0,0]=4 127 B5R1.2 IC1CCC1 I23424 [0,0,0,1,0,0|2,0,0]=3 128 B5R1.2 IC1CNC1 I13327 [0,0,0,1,0,0|3,0,0]=4 129 B5R1.2 IC1COC1 I5689 [0,0,0,1,0,0|3,0,0]=4 130 B5R1.2 NC1CCC1 C60561 [0,0,0,1,0,0|2,0,0]=3 131 B5R1.2 NC1CNC1 A5482 [0,0,0,1,0,0|3,0,0]=4 132 B5R1.2 NC1COC1 O5613 [0,0,0,1,0,0|3,0,0]=4 133 B5R1.2 NC1CSC1 T6025 [0,0,0,1,0,0|3,0,0]=4 134 B5R1.2 O=C1CCC1 C8674 [0,0,0,1,0,0|1,1,1]=4 135 B5R1.2 OC1CNC1 H2864 [0,0,0,1,0,0|2,1,0]=4 136 B5R1.2 OC1COC1 O5686 [0,0,0,1,0,0|2,1,0]=4 137 B5R1.2 SC1CNC1 A11453 [0,0,0,1,0,0|2,0,0]=3 138 B5R1.2 SC1COC1 O8471 [0,0,0,1,0,0|2,0,0]=3 139 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,1,0,0|2,0,0]=3 140 B5R1.3 BrCC1CC1 C2498 [0,0,0,1,0,0|2,0,0]=3 141 B5R1.3 CNC1CC1 M1319 [0,0,0,1,0,0|3,0,0]=4 142 B5R1.3 CNC1CC1 M14718 [0,0,0,1,0,0|3,0,0]=4 143 B5R1.3 ClC[C@@H]1CO1 E10841 [0,0,0,1,0,0|1,1,0]=3 144 B5R1.3 ClC[C@H]1CO1 E10840 [0,0,0,1,0,0|1,1,0]=3 145 B5R1.3 NNC1CC1 C19179 [0,0,0,1,0,0|3,0,0]=4 146 B5R1.3 NNC1CC1 C32080 [0,0,0,1,0,0|3,0,0]=4 147 B5R1.3 O=CC1CC1 C20058 [0,0,0,1,0,0|1,1,1]=4 148 B5R1.3 OC[C@@H]1CO1 X39872 [0,0,0,1,0,0|0,2,0]=3 149 B5R1.3 OC[C@H]1CO1 X60516 [0,0,0,1,0,0|0,2,0]=3 150 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,0,1,0,0|2,0,0]=3 151 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,0,0,1,0,0|2,0,0]=3 152 B2R0.1 CNN M39755 [2,0,0,0,0,0|2,0,0]=4 153 B2R0.1 CNO M67840 [2,0,0,0,0,0|1,1,0]=4 154 B2R0.1 CON H69345 [2,0,0,0,0,0|2,0,0]=4 155 B2R0.1 CSC C60754 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 C#C[C@@H](C)O B62970 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.1 C#C[C@H](C)N B32316 [1,1,0,0,0,0|1,0,1]=4 158 B4R0.1 C#C[C@H](C)O B40212 [1,1,0,0,0,0|1,0,1]=4 159 B4R0.1 CC(=O)CN A38843 [1,1,0,0,0,0|1,0,1]=4 160 B4R0.1 CC(=O)CO H60801 [1,1,0,0,0,0|0,1,1]=4 161 B4R0.1 CC(C)NN P67395 [1,1,0,0,0,0|2,0,0]=4 162 B4R0.1 CC(C)NO P39934 [1,1,0,0,0,0|1,1,0]=4 163 B4R0.1 CC(C)ON P39935 [1,1,0,0,0,0|2,0,0]=4 164 B4R0.1 CCB(O)O E3108 [1,1,0,0,0,0|1,1,0]=4 165 B4R0.1 CCC(=N)N P39882 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 CCC(=N)N P39927 [1,1,0,0,0,0|1,0,1]=4 167 B4R0.1 CCC(N)=O P68920 [1,1,0,0,0,0|0,1,1]=4 168 B4R0.1 CC[C@H](C)N B62608 [1,1,0,0,0,0|1,0,0]=3 169 B4R0.1 CC[S@](=O)[O-] S39781 [1,1,0,0,0,0|1,1,0]=4 170 B4R0.1 C[C@@H](Cl)CO C39879 [1,1,0,0,0,0|0,1,0]=3 171 B4R0.1 C[C@@H](N)CN D39937 [1,1,0,0,0,0|1,0,0]=3 172 B4R0.1 C[C@@H](N)CO A13415 [1,1,0,0,0,0|0,1,0]=3 173 B4R0.1 C[C@@H](O)CCl C67728 [1,1,0,0,0,0|1,0,0]=3 174 B4R0.1 C[C@@H](O)CN A67482 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.1 C[C@H](Br)CN B39885 [1,1,0,0,0,0|1,0,0]=3 176 B4R0.1 C[C@H](Cl)CO C39880 [1,1,0,0,0,0|0,1,0]=3 177 B4R0.1 C[C@H](N)CF F62811 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 C[C@H](N)CN P39936 [1,1,0,0,0,0|1,0,0]=3 179 B4R0.1 C[C@H](N)CO A13416 [1,1,0,0,0,0|0,1,0]=3 180 B4R0.1 C[C@H](N)CO A69136 [1,1,0,0,0,0|0,1,0]=3 181 B4R0.1 C[C@H](O)CN A69178 [1,1,0,0,0,0|1,0,0]=3 182 B4R0.1 C[C@H](O)CO P60705 [1,1,0,0,0,0|0,1,0]=3 183 B6R0.1 C=CC[C@@H](N)CO A41325 [0,2,0,0,0,0|1,1,0]=4 184 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.1 CCC[C@H](N)CO A40443 [0,2,0,0,0,0|1,1,0]=4 186 B6R0.1 CCC[C@H](N)CO A66421 [0,2,0,0,0,0|1,1,0]=4 187 B6R0.1 CNC[C@H](O)CO M37886 [0,2,0,0,0,0|1,1,0]=4 188 B6R0.1 CO[C@@H](C)CCO M68623 [0,2,0,0,0,0|0,2,0]=4 189 B6R0.1 N#CC[C@H](O)CCl C39152 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.2 CC(C)C[C@H](C)N M43511 [0,2,0,0,0,0|2,0,0]=4 191 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,2,0,0,0,0|0,2,0]=4 192 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,2,0,0,0,0|0,2,0]=4 193 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,2,0,0,0,0|1,1,0]=4 194 B6R0.3 CC(C)[C@H](N)CO V40442 [0,2,0,0,0,0|1,1,0]=4 195 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,2,0,0,0,0|0,2,0]=4 196 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,2,0,0,0,0|0,2,0]=4 197 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,2,0,0,0,0|0,1,1]=4 198 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,2,0,0,0,0|0,1,1]=4 199 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,2,0,0,0,0|0,1,1]=4 200 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,2,0,0,0,0|0,1,1]=4 201 B6R0.4 CC(=O)CCCCl C68599 [0,2,0,0,0,0|1,1,0]=4 202 B6R0.4 CC(C)CCCO M67872 [0,2,0,0,0,0|1,1,0]=4 203 B6R0.4 CC(C)NCCCl C40431 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.4 CC(C)OCCBr B69154 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.4 CCCCC(=N)N P41343 [0,2,0,0,0,0|2,0,0]=4 206 B6R0.4 CCCCC(=O)[O-] S38573 [0,2,0,0,0,0|1,1,0]=4 207 B6R0.4 CN(C)CCCBr B40430 [0,2,0,0,0,0|2,0,0]=4 208 B6R0.4 CN(C)CCCCl C69241 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.4 NCCCC(N)=O A40304 [0,2,0,0,0,0|1,1,0]=4 210 B6R0.4 O=C(O)CCCBr B39154 [0,2,0,0,0,0|1,1,0]=4 211 B6R0.4 O=C(O)CCCCl C40232 [0,2,0,0,0,0|1,1,0]=4 212 B6R0.5 CC(C)(C)CCBr B41571 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.5 CC(C)(F)CCN F62077 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.5 CC(C)(N)CCN M37075 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.5 CC(C)(N)CCO A40444 [0,2,0,0,0,0|1,1,0]=4 216 B6R0.5 CC(C)(O)CCN A61563 [0,2,0,0,0,0|1,1,0]=4 217 B6R0.5 FC(F)(F)CCI B7174 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.5 NCCC(F)(F)F T22902 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.5 OCCC(F)(F)F T39864 [0,2,0,0,0,0|1,1,0]=4 220 B6R0.6 BrCCNCCBr B28721 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.6 C#CCCCCI K43321 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.6 C#CCCCCO H41456 [0,2,0,0,0,0|1,1,0]=4 223 B6R0.6 C=CCCCCBr B9212 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.6 C=CCCCCO H41549 [0,2,0,0,0,0|1,1,0]=4 225 B6R0.6 C=CCCCC[Mg+] H5025 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.6 CC=CCCCO H41548 [0,2,0,0,0,0|1,1,0]=4 227 B6R0.6 CCCCCC[Mg+] H31703 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.6 CCCCCNC M41618 [0,2,0,0,0,0|2,0,0]=4 229 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.6 CCC\C=C\CO H41550 [0,2,0,0,0,0|1,1,0]=4 231 B6R0.6 CCOCCC#N E41255 [0,2,0,0,0,0|2,0,0]=4 232 B6R0.6 CNCCCCBr B40429 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.6 CNCCCCO M38840 [0,2,0,0,0,0|1,1,0]=4 234 B6R0.6 COCCCCBr B40422 [0,2,0,0,0,0|1,1,0]=4 235 B6R0.6 ClCCCCCBr B39164 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.6 ClCCNCCCl B69332 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.6 FCCCCCBr B37978 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.6 ICCCCCI D24633 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.6 N#CCCCCBr B41217 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.6 N#CCCCCCl C69554 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.6 N#CCCCCN A6983 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.6 NCCNCCO A68374 [0,2,0,0,0,0|1,1,0]=4 243 B6R0.6 NCCOCCN X39968 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.6 NCCOCCN X40357 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.6 O=CCCCCCl C41277 [0,2,0,0,0,0|1,1,0]=4 246 B6R0.6 O=CCCCCO H32202 [0,2,0,0,0,0|0,2,0]=4 247 B6R0.6 OCCOCCCl C60784 [0,2,0,0,0,0|1,1,0]=4 248 B6R0.6 OCCOCCO D43939 [0,2,0,0,0,0|0,2,0]=4 249 B6R0.6 [N-]=[N+]=NCCCN A2033 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.8 CC(C)(CO)CCl C40423 [0,2,0,0,0,0|1,1,0]=4 251 B6R0.8 NCC(F)(F)CO A20407 [0,2,0,0,0,0|1,1,0]=4 252 B6R0.8 OCC(F)(F)CO D63088 [0,2,0,0,0,0|0,2,0]=4 253 B6R0.9 CCC(CC)C[Mg+] E31704 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.9 OCC(CO)CO H36774 [0,2,0,0,0,0|0,2,0]=4 255 B4R1.1 C1CNC1 A1584 [1,0,0,1,0,0|1,0,0]=3 256 B4R1.1 C1CNC1 A31833 [1,0,0,1,0,0|1,0,0]=3 257 B4R1.2 BrC1CC1 B23669 [1,0,0,1,0,0|1,0,0]=3 258 B4R1.2 C[C@@H]1CN1 M6947 [1,0,0,1,0,0|1,0,0]=3 259 B4R1.2 C[C@H]1CN1 M6944 [1,0,0,1,0,0|1,0,0]=3 260 B4R1.2 OC1CC1 C21681 [1,0,0,1,0,0|0,1,0]=3 261 B6R1.2 Br[C@H]1CCNC1 B40246 [0,1,0,1,0,0|2,0,0]=4 262 B6R1.2 Br[C@H]1CCOC1 B0393 [0,1,0,1,0,0|1,1,0]=4 263 B6R1.2 CC1=NCCC1 M41239 [0,1,0,1,0,0|2,0,0]=4 264 B6R1.2 C[C@@H]1CCCN1 M23610 [0,1,0,1,0,0|2,0,0]=4 265 B6R1.2 C[C@@H]1CCNC1 M22540 [0,1,0,1,0,0|2,0,0]=4 266 B6R1.2 C[C@H]1CCCN1 M21836 [0,1,0,1,0,0|2,0,0]=4 267 B6R1.2 C[C@H]1CCCN1 M24199 [0,1,0,1,0,0|2,0,0]=4 268 B6R1.2 C[C@H]1CCCN1 M24435 [0,1,0,1,0,0|2,0,0]=4 269 B6R1.2 C[C@H]1CCNC1 M22012 [0,1,0,1,0,0|2,0,0]=4 270 B6R1.2 C[C@H]1CCNC1 M69520 [0,1,0,1,0,0|2,0,0]=4 271 B6R1.2 F[C@@H]1CCNC1 F7494 [0,1,0,1,0,0|2,0,0]=4 272 B6R1.2 F[C@H]1CCNC1 F0136 [0,1,0,1,0,0|2,0,0]=4 273 B6R1.2 F[C@H]1CCNC1 F7493 [0,1,0,1,0,0|2,0,0]=4 274 B6R1.2 IC1CCCC1 I20419 [0,1,0,1,0,0|2,0,0]=4 275 B6R1.2 I[C@@H]1CCOC1 I1538 [0,1,0,1,0,0|1,1,0]=4 276 B6R1.2 I[C@H]1CCOC1 I0392 [0,1,0,1,0,0|1,1,0]=4 277 B6R1.2 I[C@H]1CCOC1 I1672 [0,1,0,1,0,0|1,1,0]=4 278 B6R1.2 NC1=NCCC1 D38561 [0,1,0,1,0,0|2,0,0]=4 279 B6R1.2 NC1CC=CC1 A13279 [0,1,0,1,0,0|2,0,0]=4 280 B6R1.2 N[C@@H]1CCNC1 P16877 [0,1,0,1,0,0|2,0,0]=4 281 B6R1.2 N[C@@H]1CCNC1 P16878 [0,1,0,1,0,0|2,0,0]=4 282 B6R1.2 N[C@@H]1CCOC1 A7431 [0,1,0,1,0,0|1,1,0]=4 283 B6R1.2 N[C@@H]1CCOC1 X16388 [0,1,0,1,0,0|1,1,0]=4 284 B6R1.2 N[C@H]1CCNC1 P16879 [0,1,0,1,0,0|2,0,0]=4 285 B6R1.2 N[C@H]1CCNC1 P68854 [0,1,0,1,0,0|2,0,0]=4 286 B6R1.2 N[C@H]1CCOC1 A0023 [0,1,0,1,0,0|1,1,0]=4 287 B6R1.2 N[C@H]1CCOC1 A7432 [0,1,0,1,0,0|1,1,0]=4 288 B6R1.2 N[C@H]1CCOC1 T40344 [0,1,0,1,0,0|1,1,0]=4 289 B6R1.2 N[C@H]1CCOC1 X22238 [0,1,0,1,0,0|1,1,0]=4 290 B6R1.2 O=C1CCSC1 D10906 [0,1,0,1,0,0|0,1,1]=4 291 B6R1.2 O=C1NCCS1 T39859 [0,1,0,1,0,0|0,1,1]=4 292 B6R1.2 OC1CC=CC1 C67522 [0,1,0,1,0,0|2,0,0]=4 293 B6R1.2 O[C@@H]1CCNC1 H7458 [0,1,0,1,0,0|1,1,0]=4 294 B6R1.2 O[C@@H]1CCNC1 P4643 [0,1,0,1,0,0|1,1,0]=4 295 B6R1.2 O[C@@H]1CCOC1 H7563 [0,1,0,1,0,0|0,2,0]=4 296 B6R1.2 O[C@H]1CCNC1 H0275 [0,1,0,1,0,0|1,1,0]=4 297 B6R1.2 O[C@H]1CCNC1 H7496 [0,1,0,1,0,0|1,1,0]=4 298 B6R1.2 O[C@H]1CCNC1 P0679 [0,1,0,1,0,0|1,1,0]=4 299 B6R1.2 O[C@H]1CCOC1 H0466 [0,1,0,1,0,0|0,2,0]=4 300 B6R1.2 O[C@H]1CCOC1 H10322 [0,1,0,1,0,0|0,2,0]=4 301 B6R1.2 O[C@H]1CNOC1 K39924 [0,1,0,1,0,0|1,1,0]=4 302 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,1,0,1,0,0|1,1,0]=4 303 B6R1.3 CNCC1CC1 C25333 [0,1,0,1,0,0|2,0,0]=4 304 B6R1.3 ICCC1CC1 I23113 [0,1,0,1,0,0|2,0,0]=4 305 B6R1.3 NCCC1CC1 C7864 [0,1,0,1,0,0|2,0,0]=4 306 B6R1.3 NNCC1CC1 C25488 [0,1,0,1,0,0|2,0,0]=4 307 B6R1.3 NOCC1CC1 C36851 [0,1,0,1,0,0|1,1,0]=4 308 B6R1.3 OCCC1CC1 C7861 [0,1,0,1,0,0|1,1,0]=4 309 B6R1.3 OCCN1CC1 A69643 [0,1,0,1,0,0|1,1,0]=4 310 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,1,0,0|2,0,0]=4 311 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,1,0,0|2,0,0]=4 312 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,1,0,0|2,0,0]=4 313 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,1,0,0|1,1,0]=4 314 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,1,0,0|1,1,0]=4 315 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,1,0,0|2,0,0]=4 316 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,1,0,0|2,0,0]=4 317 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,1,0,0|2,0,0]=4 318 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,1,0,0|1,1,0]=4 319 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,1,0,0|1,1,0]=4 320 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,1,0,0|2,0,0]=4 321 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,1,0,0|2,0,0]=4 322 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,1,0,0|2,0,0]=4 323 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,1,0,0|2,0,0]=4 324 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,1,0,0|1,1,0]=4 325 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,1,0,0|1,1,0]=4 326 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,1,0,0|1,1,0]=4 327 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,1,0,0|1,1,0]=4 328 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,1,0,0|1,1,0]=4 329 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,1,0,1,0,0|2,0,0]=4 330 B6R1.9 N[C@H]1CC1(F)F D59725 [0,1,0,1,0,0|2,0,0]=4 331 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,1,0,0|2,0,0]=4 332 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,1,0,0|2,0,0]=4 333 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,1,0,0|2,0,0]=4 334 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,1,0,1,0,0|2,0,0]=4 335 B6R1.11 C[C@H](N)C1CC1 C41318 [0,1,0,1,0,0|2,0,0]=4 336 B6R1.1 C1=CCNCC1 T0540 [0,1,0,1,0,0|2,0,0]=4 337 B6R1.1 C1=CCOCC1 D10810 [0,1,0,1,0,0|2,0,0]=4 338 B6R1.1 C1CCNCC1 P67647 [0,1,0,1,0,0|2,0,0]=4 339 B6R1.1 C1CCNNC1 H8288 [0,1,0,1,0,0|2,0,0]=4 340 B6R1.1 C1CCONC1 X13780 [0,1,0,1,0,0|1,1,0]=4 341 B6R1.1 C1CCONC1 X40342 [0,1,0,1,0,0|1,1,0]=4 342 B6R1.1 C1CNCOC1 X40263 [0,1,0,1,0,0|1,1,0]=4 343 B6R1.1 C1CSCCN1 T17901 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.4 CC1NCC1F F21597 [0,1,0,1,0,0|2,0,0]=4 345 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,1,0,0|1,1,0]=4 346 B6R1.6 BrCC1COC1 B19169 [0,1,0,1,0,0|1,1,0]=4 347 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,1,0,0|1,1,0]=4 348 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,1,0,0|2,0,0]=4 349 B6R1.6 CSC1CNC1 M0303 [0,1,0,1,0,0|2,0,0]=4 350 B6R1.6 FCC1CNC1 F21648 [0,1,0,1,0,0|2,0,0]=4 351 B6R1.6 ICC1CCC1 I29708 [0,1,0,1,0,0|2,0,0]=4 352 B6R1.6 ICC1COC1 I6937 [0,1,0,1,0,0|1,1,0]=4 353 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,1,0,0|1,1,0]=4 354 B6R1.6 N#CC1CCC1 C5653 [0,1,0,1,0,0|2,0,0]=4 355 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,1,0,0|2,0,0]=4 356 B6R1.6 NCC1CCC1 C0310 [0,1,0,1,0,0|2,0,0]=4 357 B6R1.6 NCC1CCC1 C1144 [0,1,0,1,0,0|2,0,0]=4 358 B6R1.6 NCC1CNC1 A13410 [0,1,0,1,0,0|2,0,0]=4 359 B6R1.6 NCC1COC1 O5691 [0,1,0,1,0,0|1,1,0]=4 360 B6R1.6 NCC1CSC1 T6978 [0,1,0,1,0,0|1,0,0]=3 361 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,1,0,0|1,1,0]=4 362 B6R1.6 NNC1CCC1 C37776 [0,1,0,1,0,0|2,0,0]=4 363 B6R1.6 OCC1CCC1 C67424 [0,1,0,1,0,0|1,1,0]=4 364 B6R1.6 OCC1CNC1 A5874 [0,1,0,1,0,0|1,1,0]=4 365 B6R1.6 OCC1CNC1 H12177 [0,1,0,1,0,0|1,1,0]=4 366 B6R1.6 OCC1COC1 X6263 [0,1,0,1,0,0|0,2,0]=4 367 B6R1.6 OCC1CSC1 T20107 [0,1,0,1,0,0|0,1,0]=3 368 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,1,0,0|1,1,0]=4 369 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,1,0,0|1,1,0]=4 370 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,1,0,0|1,1,0]=4 371 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,1,0,0|0,2,0]=4 372 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,1,0,0|2,0,0]=4 373 B6R1.7 CC1(CN)CC1 M41319 [0,1,0,1,0,0|2,0,0]=4 374 B6R1.7 CC1(CO)CC1 M29792 [0,1,0,1,0,0|1,1,0]=4 375 B6R1.7 CCC1(N)CC1 E29724 [0,1,0,1,0,0|2,0,0]=4 376 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,1,0,1,0,0|1,1,0]=4 377 B6R1.7 NC1(CO)CC1 A1400 [0,1,0,1,0,0|1,1,0]=4 378 B6R1.7 NC1(CO)CC1 A16823 [0,1,0,1,0,0|1,1,0]=4 379 B6R1.7 NCC1(F)CC1 F60284 [0,1,0,1,0,0|2,0,0]=4 380 B6R1.7 NCC1(O)CC1 A13658 [0,1,0,1,0,0|2,0,0]=4