0 B5R0.2 BrCCCCBr 3870 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 C#CCCCC 13057 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCCCl 34956 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C#CCCCO 2025 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C=COCCCl 17316 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.2 CCC#CCBr 35958 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 CCCC#CO 13063 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CCCCCI 3960 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCNCC 10270 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 CCOCCBr 12476 [0,0,0,0,0,0|2,1,0]=3 10 B5R0.2 CCOCCCl 1932 [0,0,0,0,0,0|2,1,0]=3 11 B5R0.2 CNCCCN 26279 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CNCCCO 30456 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CNCCNC 31976 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 COCCC#N 24839 [0,0,0,0,0,0|2,1,1]=4 15 B5R0.2 COCCC=O 24309 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.2 COCCCBr 11240 [0,0,0,0,0,0|2,1,0]=3 17 B5R0.2 COCCCCl 18632 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.2 COCCCN 16804 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.2 COCCCO 1936 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.2 COCCOC 18652 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.2 ClCCCCBr 36136 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.2 ICCCCI 3842 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.2 N#CCCCBr 28726 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.2 N#CCCCCl 26537 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.2 NCCCCN 25424 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.2 OCCCCCl 17292 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.2 OCCCCCl 23235 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.2 O\C=C\CCO 35113 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.2 C#CCCO 13071 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C#CCOC 35042 [1,0,0,0,0,0|0,1,2]=4 31 B4R0.2 C#COCC 12592 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.2 C=CCCN 10268 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 C=CCCN 36002 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 C=CCCO 18909 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C=COCC 18645 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.2 CC#CCO 13061 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CCCCBr 3752 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CCCCI 3939 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CCN=C=O 18636 [1,0,0,0,0,0|2,1,0]=4 40 B4R0.2 CCNCC 14036 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 CCNCC 17237 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 CCOCCl 18683 [1,0,0,0,0,0|2,1,0]=4 43 B4R0.2 CC[B+]CC 26091 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 CNCC#N 35842 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CNCCCl 35179 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CNCCN 4020 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 COCC#N 28756 [1,0,0,0,0,0|1,1,1]=4 48 B4R0.2 COCCBr 2138 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.2 COCCCl 1911 [1,0,0,0,0,0|1,1,0]=3 50 B4R0.2 COCCO 35138 [1,0,0,0,0,0|1,1,0]=3 51 B4R0.2 CSCCCl 35891 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.2 CSCCN 19131 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.2 CSCCO 10846 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.2 C\C=C\CC 19602 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 C\C=C\CO 21075 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 ICCCI 3858 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 N#CCCBr 25994 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 N#CCCN 19134 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.2 N#CCCO 22156 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.2 NCCCBr 18801 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 NCCCN 10839 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 NNCCO 45109 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.1 CCC(C)CCO 35939 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CNCC(=O)OC 10901 [0,1,0,0,0,0|2,1,0]=4 65 B6R0.1 COC(=O)CCBr 19970 [0,1,0,0,0,0|2,1,0]=4 66 B6R0.1 COC(=O)CCN 10900 [0,1,0,0,0,0|2,1,0]=4 67 B6R0.1 COC(C)CCO 35942 [0,1,0,0,0,0|2,1,0]=4 68 B6R0.4 C=C(C)CNCC 10272 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CC(=O)CCCCl 17207 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.4 CC(=O)NCCN 19141 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.4 CC(=O)OCCBr 19081 [0,1,0,0,0,0|2,1,0]=4 72 B6R0.4 CC(Br)CCCBr 12546 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.4 CC(C)NCCN 8612 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.4 CCCCB(O)O 1765 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.4 CCCCC(=O)Cl 21358 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 CCCCC(=O)[O-] 27064 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 CCCC[C@@H](C)N 6753 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 CCCC[C@@H](C)O 6730 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.4 CCCC[C@H](C)N 6750 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CCCC[C@H](C)O 6732 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CC\C=C\C(C)=O 32068 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CN(C)CCCCl 20698 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 CNCCC(C)C 16229 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.4 COCCC(O)Br 10478 [0,1,0,0,0,0|2,1,0]=4 85 B6R0.6 BrCCCCCBr 3909 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.6 C#CCCCCC 13058 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.6 C#CCCCCO 13078 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.6 CC#CCCCO 13089 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.6 CCCC#CCO 13064 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.6 CCCCCC=O 3077 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.6 CCCCCCBr 3776 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.6 CCCCCCI 3945 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.6 CCCCNCC 10254 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.6 CCCCOCC 12525 [0,1,0,0,0,0|1,1,0]=3 95 B6R0.6 CCCOCCCl 14348 [0,1,0,0,0,0|1,1,0]=3 96 B6R0.6 CCC\C=C\CO 18917 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.6 CCOCCC#N 24829 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.6 CCOCCCO 1937 [0,1,0,0,0,0|1,1,0]=3 99 B6R0.6 COCCCCCl 1935 [0,1,0,0,0,0|1,1,0]=3 100 B6R0.6 COCCCCO 1938 [0,1,0,0,0,0|1,1,0]=3 101 B6R0.6 COCCOCCl 10093 [0,1,0,0,0,0|2,1,0]=4 102 B6R0.6 ClCCCCCBr 15271 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.6 ClCCNCCCl 14168 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.6 ClCCOCCCl 18689 [0,1,0,0,0,0|2,1,0]=4 105 B6R0.6 ICCCCCI 3853 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.6 N#CCCCCBr 26949 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.6 N#CCCCCCl 25473 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.6 NCCOCCN 31824 [0,1,0,0,0,0|2,1,0]=4 109 B6R0.6 NCCOCCN 31825 [0,1,0,0,0,0|2,1,0]=4 110 B6R0.6 O=CCCCCCl 27418 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.6 OCCCCCBr 22989 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.6 OCCSCCO 35355 [0,1,0,0,0,0|2,0,0]=3 113 B6R1.1 C1=COCCC1 9508 [0,0,0,1,0,0|1,1,1]=4 114 B6R1.1 C1CCNCC1 21964 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.1 C1CCNCC1 7701 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.1 C1CCOCC1 9509 [0,0,0,1,0,0|1,1,0]=3 117 B6R1.1 C1CCSCC1 10562 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.1 C1CNCCN1 19047 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.1 C1CNCCN1 24459 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.1 C1COCCN1 15002 [0,0,0,1,0,0|2,1,0]=4 121 B6R1.1 C1COCCN1 18231 [0,0,0,1,0,0|2,1,0]=4 122 B6R1.1 C1CSCCN1 15746 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.1 C1SCSCS1 36144 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.2 BrC1=CCCC1 29715 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 BrC1CCOC1 26260 [0,0,0,1,0,0|2,1,0]=4 126 B6R1.2 CB1NCCO1 9360 [0,0,0,1,0,0|2,1,0]=4 127 B6R1.2 CC1=NCCC1 9412 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 CC1=NCCN1 10179 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 CC1CCCN1 11112 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 CC1CCCN1 9410 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 CC1CCCO1 10841 [0,0,0,1,0,0|1,1,0]=3 132 B6R1.2 CC1CCCS1 12832 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.2 CC1CCNC1 19859 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 CN1CCCC1 11143 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 C[C@@H]1CCCN1 11117 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 C[C@@H]1CCCN1 15593 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 C[C@H]1CCCN1 11115 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 C[C@H]1CCCN1 15594 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 F[C@H]1CCNC1 35776 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 NC1=NCCC1 32058 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.2 NC1=NCCS1 17230 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 NC1CCNC1 20096 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 NC1CCNC1 30371 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 NC1CCNC1 9196 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.2 NC1CCOC1 20203 [0,0,0,1,0,0|2,1,0]=4 146 B6R1.2 NC1CCOC1 24733 [0,0,0,1,0,0|2,1,0]=4 147 B6R1.2 NN1CCCC1 4032 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 NN1CCCC1 9801 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 N[C@@H]1CCNC1 5728 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.2 N[C@@H]1CCNC1 5730 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 N[C@@H]1CCOC1 12612 [0,0,0,1,0,0|2,1,0]=4 152 B6R1.2 N[C@@H]1CCOC1 15496 [0,0,0,1,0,0|2,1,0]=4 153 B6R1.2 N[C@H]1CCNC1 11156 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 N[C@H]1CCNC1 5729 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 N[C@H]1CCOC1 15126 [0,0,0,1,0,0|2,1,0]=4 156 B6R1.2 O=C1CCCC1 30304 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.2 O=C1CCCN1 19110 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.2 O=C1CCSC1 5575 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 O=C1NCCS1 14582 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 O=S1CCCC1 12544 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 OC1CC=CC1 29044 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.2 OC1CCCC1 20387 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 OC1CCNC1 11118 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 OC1CCNC1 17435 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.2 O[C@@H]1CCNC1 7469 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.2 O[C@@H]1CCOC1 11341 [0,0,0,1,0,0|2,1,0]=4 167 B6R1.2 O[C@@H]1CCOC1 7071 [0,0,0,1,0,0|2,1,0]=4 168 B6R1.2 O[C@H]1CCNC1 14064 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.2 O[C@H]1CCNC1 15695 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.2 O[C@H]1CCNC1 8981 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 O[C@H]1CCOC1 16209 [0,0,0,1,0,0|2,1,0]=4 172 B6R1.2 S=C1CCCN1 20272 [0,0,0,1,0,0|3,0,0]=4 173 B6R1.2 S=C1NCCS1 14579 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.3 COC[C@@H]1CO1 5856 [0,0,0,1,0,0|2,1,0]=4 175 B6R1.3 COC[C@H]1CO1 5851 [0,0,0,1,0,0|2,1,0]=4 176 B6R1.3 CONC1CC1 25856 [0,0,0,1,0,0|1,1,0]=3 177 B6R1.3 N#CCC1CC1 28859 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.3 NCCN1CC1 14229 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.3 OCCC1CC1 28819 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.3 S=C=NC1CC1 22785 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.6 BrCC1CCC1 23272 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.6 N#CC1CCC1 25445 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.6 NCC1CCC1 21304 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.6 NCC1COC1 23208 [0,0,0,1,0,0|2,1,0]=4 185 B6R1.6 O=CC1CCC1 23840 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.6 OCC1CCC1 23465 [0,0,0,1,0,0|3,0,0]=4 187 B6R1.6 OCC1CNC1 19094 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.6 OCC1COC1 29376 [0,0,0,1,0,0|2,1,0]=4 189 B3R0.1 CCCI 3977 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.1 CCC[S-] 35319 [2,0,0,0,0,0|0,0,1]=3 191 B3R0.1 CCNC 10275 [2,0,0,0,0,0|1,0,0]=3 192 B3R0.1 CCNN 16833 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.1 CCON 35706 [2,0,0,0,0,0|1,1,0]=4 194 B3R0.1 CC[Mg]Br 23799 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 CNOC 25934 [2,0,0,0,0,0|1,1,0]=4 196 B3R0.1 COCBr 23167 [2,0,0,0,0,0|1,1,0]=4 197 B3R0.1 CSSC 9665 [2,0,0,0,0,0|0,0,0]=2 198 B3R0.1 NCCBr 32344 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 NCCF 19132 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 NCCO 24767 [2,0,0,0,0,0|1,1,0]=4 201 B3R0.1 SCCS 12844 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.1 C#CCC(C)O 26123 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 CC(Br)CCBr 3866 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.1 CC(C)CCI 3950 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.1 CC(C)CNN 18739 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.1 CC(N)CCO 29198 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.1 CCCB(O)O 6019 [1,1,0,0,0,0|1,1,0]=4 208 B5R0.1 CCCC(=N)N 16315 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 CCCC(=O)Cl 13241 [1,1,0,0,0,0|1,1,0]=4 210 B5R0.1 CCCC(C)N 26317 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CCC[C@@H](C)O 6721 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.1 CCC[C@H](C)O 6719 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.1 CCNC(C)C 10283 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.1 CCOC(C)=N 2020 [1,1,0,0,0,0|1,1,0]=4 215 B5R0.1 CCSC(C)=S 12459 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.1 CN(C)CCS 35662 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.1 COCC(C)O 1904 [1,1,0,0,0,0|0,1,0]=3 218 B5R0.1 COC[C@@H](C)O 6714 [1,1,0,0,0,0|0,1,0]=3 219 B5R0.1 COC[C@H](C)O 6715 [1,1,0,0,0,0|0,1,0]=3 220 B5R0.1 C[C@@H](O)CCO 6724 [1,1,0,0,0,0|1,1,0]=4 221 B5R0.1 C[C@H](O)CCO 6722 [1,1,0,0,0,0|1,1,0]=4 222 B5R0.3 C#CC(O)CC 26391 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 CCC(N)CO 14779 [1,1,0,0,0,0|1,1,0]=4 224 B5R0.3 CCP(Cl)CC 6480 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.3 CC[C@@H](O)CO 14093 [1,1,0,0,0,0|1,1,0]=4 226 B5R0.3 CC[C@H](C)C#N 32183 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.3 CC[C@H](C)CN 16256 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.3 CC[C@H](O)CO 14096 [1,1,0,0,0,0|1,1,0]=4 229 B5R0.3 CO[C@@H](C)CN 17733 [1,1,0,0,0,0|1,1,0]=4 230 B5R0.3 CO[C@@H](C)CN 17747 [1,1,0,0,0,0|1,1,0]=4 231 B5R0.3 CO[C@@H](C)CO 26646 [1,1,0,0,0,0|1,1,0]=4 232 B5R0.3 CO[C@H](C)CN 17734 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.3 CO[C@H](C)CN 17748 [1,1,0,0,0,0|1,1,0]=4 234 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,2,0,0,0,0|1,1,0]=4 235 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,2,0,0,0,0|1,1,0]=4 236 B7R0.3 CCCCC(Br)CBr 3891 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.3 CSCC[C@@H](N)CO 12299 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.3 CSCC[C@H](N)CO 25150 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.7 CCCC(N)CCC 12594 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.7 COCC(N)COC 23938 [0,2,0,0,0,0|1,1,0]=4 241 B7R0.10 CCC(Br)C(=O)OC 20191 [0,2,0,0,0,0|1,1,0]=4 242 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [0,2,0,0,0,0|1,1,0]=4 243 B7R0.4 CC(=O)CCCCCl 29051 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.4 CC(C)CCCCBr 35107 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.4 CCCCCC(C)O 3094 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.4 CCCCC[C@@H](C)O 6739 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.4 CCCCC[C@H](C)O 6736 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.4 CCC\C=C\C(C)=O 18920 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.6 C[C@H](O)CC[C@H](C)O 6345 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.1 BrCCCCCCBr 3894 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.1 C#CCCCCCC 13059 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.1 CCCCC#CCO 13065 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.1 CCCCCCCBr 3775 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.1 CCCCCCCI 3944 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.1 CCCC\C=C\CO 18918 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.1 CCOCCCCCl 1933 [0,2,0,0,0,0|1,1,0]=4 257 B7R0.1 ICCCCCCI 3846 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.1 NCCCCCCO 13750 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.1 OCCCCCCCl 16921 [0,2,0,0,0,0|2,0,0]=4 260 B5R1.1 C1CCNC1 19143 [1,0,0,1,0,0|1,0,0]=3 261 B5R1.1 C1CCOC1 12766 [1,0,0,1,0,0|0,1,0]=3 262 B5R1.1 C1CSCN1 35964 [1,0,0,1,0,0|1,0,0]=3 263 B5R1.1 C1CSCN1 36265 [1,0,0,1,0,0|1,0,0]=3 264 B5R1.2 BrC1COC1 35713 [1,0,0,1,0,0|1,1,0]=4 265 B5R1.2 FC1CNC1 10162 [1,0,0,1,0,0|2,0,0]=4 266 B5R1.2 FC1CNC1 24864 [1,0,0,1,0,0|2,0,0]=4 267 B5R1.2 IC1COC1 29373 [1,0,0,1,0,0|1,1,0]=4 268 B5R1.2 NC1CCC1 11047 [1,0,0,1,0,0|2,0,0]=4 269 B5R1.2 NC1CCC1 35736 [1,0,0,1,0,0|2,0,0]=4 270 B5R1.2 NC1COC1 20414 [1,0,0,1,0,0|1,1,0]=4 271 B5R1.2 O=C1CCC1 9021 [1,0,0,1,0,0|1,1,0]=4 272 B5R1.2 O=C1CSC1 25389 [1,0,0,1,0,0|1,0,1]=4 273 B5R1.2 OC1CCC1 27295 [1,0,0,1,0,0|1,1,0]=4 274 B5R1.2 OC1CNC1 10157 [1,0,0,1,0,0|2,0,0]=4 275 B5R1.2 OC1CNC1 12930 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.2 OC1COC1 17367 [1,0,0,1,0,0|1,1,0]=4 277 B5R1.3 BrCC1CC1 13771 [1,0,0,1,0,0|2,0,0]=4 278 B5R1.3 BrCC1CO1 21362 [1,0,0,1,0,0|1,1,0]=4 279 B5R1.3 CC[C@@H]1CO1 14098 [1,0,0,1,0,0|0,1,0]=3 280 B5R1.3 CC[C@H]1CO1 14100 [1,0,0,1,0,0|0,1,0]=3 281 B5R1.3 ClCC1CC1 10983 [1,0,0,1,0,0|2,0,0]=4 282 B5R1.3 ClCC1CO1 5779 [1,0,0,1,0,0|1,1,0]=4 283 B5R1.3 ClCC1CO1 5780 [1,0,0,1,0,0|1,1,0]=4 284 B5R1.3 NNC1CC1 45053 [1,0,0,1,0,0|2,0,0]=4 285 B5R1.3 O=CC1CC1 12460 [1,0,0,1,0,0|1,1,0]=4 286 B5R1.3 OCC1CC1 9773 [1,0,0,1,0,0|1,1,0]=4 287 B5R1.3 OCC1CO1 21960 [1,0,0,1,0,0|1,1,0]=4 288 B5R1.3 OC[C@@H]1CO1 5832 [1,0,0,1,0,0|1,1,0]=4 289 B5R1.3 OC[C@H]1CO1 5836 [1,0,0,1,0,0|1,1,0]=4 290 B5R1.4 CC1OC1C 35217 [1,0,0,1,0,0|1,1,0]=4 291 B7R1.1 BrCC1CCCC1 3104 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.1 BrCC1CCCO1 6941 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.1 BrCC1CCOC1 24395 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.1 CCN1CCCC1 36488 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.1 CNC1CCNC1 11207 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.1 CNC1CCOC1 15123 [0,1,0,1,0,0|1,1,0]=4 297 B7R1.1 CNC1CCOC1 24384 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.1 CN[C@@H]1CCNC1 11209 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.1 CN[C@@H]1CCOC1 24382 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.1 CN[C@@H]1CCOC1 24386 [0,1,0,1,0,0|1,1,0]=4 301 B7R1.1 CN[C@H]1CCNC1 11208 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.1 CN[C@H]1CCOC1 24380 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.1 CN[C@H]1CCOC1 24385 [0,1,0,1,0,0|1,1,0]=4 304 B7R1.1 COC1CCNC1 19858 [0,1,0,1,0,0|1,1,0]=4 305 B7R1.1 CO[C@@H]1CCNC1 14802 [0,1,0,1,0,0|1,1,0]=4 306 B7R1.1 CO[C@H]1CCNC1 14801 [0,1,0,1,0,0|1,1,0]=4 307 B7R1.1 ClCC1CCCO1 7061 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.1 NCC1CCCO1 6998 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.1 NCC1CCNC1 11185 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 NC[C@@H]1CCCO1 14101 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.1 NC[C@@H]1CCCO1 17261 [0,1,0,1,0,0|1,1,0]=4 312 B7R1.1 NC[C@@H]1CCNC1 11186 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 NC[C@@H]1CCOC1 20493 [0,1,0,1,0,0|1,1,0]=4 314 B7R1.1 NC[C@H]1CCCN1 16320 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.1 NC[C@H]1CCCO1 7001 [0,1,0,1,0,0|1,1,0]=4 316 B7R1.1 NC[C@H]1CCNC1 11187 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.1 NC[C@H]1CCOC1 20502 [0,1,0,1,0,0|1,1,0]=4 318 B7R1.1 OCC1CCCC1 3097 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.1 OCC1CCCO1 7086 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.1 OCC1CCNC1 15733 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.1 OCC1CCNC1 15883 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.1 OCC1CCOC1 20510 [0,1,0,1,0,0|1,1,0]=4 323 B7R1.1 OC[C@@H]1CCCN1 6910 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.1 OC[C@@H]1CCCO1 26288 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.1 OC[C@@H]1CCNC1 18724 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.1 OC[C@H]1CCCN1 6912 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.1 OC[C@H]1CCCO1 26287 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.1 OC[C@H]1CCNC1 18723 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.2 CC1COC(=O)C1 35360 [0,1,0,1,0,0|1,1,0]=4 330 B7R1.2 CN1CCC(N)C1 15706 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.2 CN1CCC(O)C1 14117 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 CN1CC[C@@H](O)C1 13969 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 BrC1=CCCCC1 29716 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.3 BrC1CCCCN1 6734 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.3 BrC1CCCNC1 6733 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.3 BrC1CCNCC1 9060 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.3 BrC1CCOCC1 13108 [0,1,0,1,0,0|1,1,0]=4 338 B7R1.3 CC1CCCCN1 7704 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 CC1CCCNC1 7705 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.3 CC1CCNCC1 7707 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.3 CC1CNCCN1 8560 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.3 CC1CNCCO1 14222 [0,1,0,1,0,0|1,1,0]=4 343 B7R1.3 CC1COCCN1 14221 [0,1,0,1,0,0|1,1,0]=4 344 B7R1.3 CC1COCCN1 17245 [0,1,0,1,0,0|1,1,0]=4 345 B7R1.3 CN1CCCCC1 7703 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.3 CN1CCNCC1 15033 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.3 CN1CCNCC1 8561 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.3 CN1CCOCC1 17627 [0,1,0,1,0,0|1,1,0]=4 349 B7R1.3 CN1CCOCC1 18300 [0,1,0,1,0,0|1,1,0]=4 350 B7R1.3 C[C@@H]1CCCCN1 14248 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.3 C[C@@H]1CNCCN1 13111 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.3 C[C@@H]1CNCCN1 15034 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.3 C[C@@H]1CNCCO1 15013 [0,1,0,1,0,0|1,1,0]=4 354 B7R1.3 C[C@@H]1CNCCO1 17029 [0,1,0,1,0,0|1,1,0]=4 355 B7R1.3 C[C@@H]1COCCN1 11363 [0,1,0,1,0,0|1,1,0]=4 356 B7R1.3 C[C@@H]1COCCN1 17244 [0,1,0,1,0,0|1,1,0]=4 357 B7R1.3 C[C@H]1CCCCN1 15597 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.3 C[C@H]1CNCCN1 15035 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.3 C[C@H]1CNCCO1 11359 [0,1,0,1,0,0|1,1,0]=4 360 B7R1.3 C[C@H]1CNCCO1 17028 [0,1,0,1,0,0|1,1,0]=4 361 B7R1.3 C[C@H]1COCCN1 11364 [0,1,0,1,0,0|1,1,0]=4 362 B7R1.3 C[C@H]1COCCN1 17226 [0,1,0,1,0,0|1,1,0]=4 363 B7R1.3 ClC1CCCCN1 6738 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.3 ClC1CCNCC1 30446 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.3 ClC1CCNCC1 6744 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.3 ClC1CCOCC1 36112 [0,1,0,1,0,0|1,1,0]=4 367 B7R1.3 FC1CCCNC1 24370 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.3 FC1CCNCC1 44985 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.3 F[C@@H]1CCCNC1 24371 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.3 F[C@H]1CCCNC1 24372 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 IC1CCOCC1 44921 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.3 NC1CCCCN1 6729 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.3 NC1CCCNC1 6731 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.3 NC1CCCNC1 6755 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.3 NC1CCCOC1 20424 [0,1,0,1,0,0|1,1,0]=4 376 B7R1.3 NC1CCNCC1 6727 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.3 NC1CCNCC1 7722 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.3 NC1CCOCC1 22240 [0,1,0,1,0,0|1,1,0]=4 379 B7R1.3 NC1CCOCC1 26069 [0,1,0,1,0,0|1,1,0]=4 380 B7R1.3 NC1CCOCC1 9558 [0,1,0,1,0,0|1,1,0]=4 381 B7R1.3 NC1CCOCC1 9675 [0,1,0,1,0,0|1,1,0]=4 382 B7R1.3 NC1CCSCC1 18748 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.3 NN1CCCCC1 23024 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.3 NN1CCCCC1 23261 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.3 N[C@@H]1CCCNC1 3013 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.3 N[C@@H]1CCCOC1 19625 [0,1,0,1,0,0|1,1,0]=4 387 B7R1.3 N[C@@H]1CCCOC1 22289 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.3 N[C@H]1CCCNC1 11476 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.3 N[C@H]1CCCOC1 19623 [0,1,0,1,0,0|1,1,0]=4 390 B7R1.3 N[C@H]1CCCOC1 22290 [0,1,0,1,0,0|1,1,0]=4 391 B7R1.3 O=C1CCCCN1 16892 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.3 O=C1CCCCO1 20208 [0,1,0,1,0,0|1,1,0]=4 393 B7R1.3 O=C1CCSCC1 18603 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.3 OC1CCCCN1 6787 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.3 OC1CCCNC1 6782 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.3 OC1CCCNC1 6818 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.3 OC1CCCOC1 20064 [0,1,0,1,0,0|1,1,0]=4 398 B7R1.3 OC1CCNCC1 6780 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.3 OC1CCNCC1 7714 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.3 OC1CCOCC1 10170 [0,1,0,1,0,0|1,1,0]=4 401 B7R1.3 O[C@@H]1CCCNC1 11310 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.3 O[C@@H]1CCCNC1 24363 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.3 O[C@@H]1CCCOC1 24398 [0,1,0,1,0,0|1,1,0]=4 404 B7R1.3 O[C@H]1CCCNC1 11309 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.3 O[C@H]1CCCNC1 24364 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 O[C@H]1CCCOC1 24399 [0,1,0,1,0,0|1,1,0]=4 407 B7R1.4 CC1OCCC1S 9972 [0,1,0,1,0,0|1,1,0]=4 408 B7R1.4 CN1CCCC1=O 17618 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.4 NC1CCSC1=O 26584 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.6 COCC1CNC1 26682 [0,1,0,1,0,0|1,1,0]=4 411 B7R1.6 OCCN1CCC1 34771 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.22 COC(=O)C1CC1 11835 [0,1,0,1,0,0|1,1,0]=4 413 B7R1.14 CC1(C)CCCN1 22249 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.14 CC1(O)CCCC1 29357 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.14 C[Si]1(C)CCCC1 28986 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.18 CC(O)C1CCC1 16458 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.24 C1CNCCNC1 8556 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.24 C1CNCCOC1 25220 [0,1,0,1,0,0|1,1,0]=4 419 B7R2.13 C1NCC2CC12 18421 [0,0,0,2,0,0|2,0,0]=4