0 B6R0.6 BrCCCCCBr CS-W019956 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCOCCBr CS-W014174 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCCl CS-0204489 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCCI CS-0088557 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C#CCCCCN CS-0059697 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 C#CCCCCN CS-0106594 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 C#CCCCCO CS-W016659 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 C#CCOCCI CS-0514546 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C#CCOCCN CS-0063716 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C#CCOCCN CS-0199315 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C#CCOCCO CS-0086239 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.6 C(CC)=CCCO CS-W009552 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.6 C(CO)=CCCC CS-W016652 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.6 C=C=CCCCO CS-1014365 [0,0,0,0,0,0|0,0,3]=3 14 B6R0.6 C=CCCCCBr CS-W008939 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.6 C=CCCCCN CS-0210385 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.6 C=CCCCCO CS-W013711 [0,0,0,0,0,0|0,0,2]=2 17 B6R0.6 C=CCOCCO CS-0157967 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.6 CCC#CCCO CS-0040171 [0,0,0,0,0,0|0,0,2]=2 19 B6R0.6 CCCCCCI CS-0132388 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.6 CCCCCCN CS-0196786 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 CCCNCCC CS-0187381 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 CCCNCCC CS-0214120 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 CCCNCCO CS-0105782 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.6 CCCOCCCl CS-0200392 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 CCC\C=C\C=O CS-0099263 [0,0,0,0,0,0|0,0,4]=4 26 B6R0.6 CCNCCCN CS-0151962 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.6 CCOCCCO CS-W013685 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.6 CC\C=C/CCO CS-W011323 [0,0,0,0,0,0|0,0,2]=2 29 B6R0.6 CNCCCCBr CS-0163109 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 CNCCCCO CS-W006493 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.6 COCCCCBr CS-W021313 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 COCCCCCl CS-0039726 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 COCCCCO CS-0150179 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.6 CSCCCCO CS-0204406 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.6 C\C=C\C=C\CO CS-W018413 [0,0,0,0,0,0|0,0,4]=4 36 B6R0.6 ClCCCCCBr CS-W016940 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 ClCCCCCI CS-0135342 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.6 ClCCNCCCl CS-W020124 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.6 FCCCCCBr CS-W005161 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.6 ICCCCCI CS-0041009 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.6 ICCOCCI CS-W011980 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.6 N#CCCCCBr CS-D1429 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.6 N#CCCCCCl CS-W022361 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.6 N#CCOCCCl CS-0158721 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 NCCCCCBr CS-0006784 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 NCCCCCN CS-W017466 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 NCCCCCO CS-W013687 [0,0,0,0,0,0|1,0,0]=1 48 B6R0.6 NCCNCCN CS-0498854 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.6 NCCNCCO CS-W011299 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.6 NCCOCCN CS-0114847 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 NCCOCCN CS-0115750 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 NCCOCCO CS-1013822 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.6 NCCOCCO CS-1013830 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.6 NCCOCCO CS-1014116 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.6 NCCSCCN CS-W013570 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.6 OCCCCCBr CS-0905394 [0,0,0,0,0,0|1,0,0]=1 57 B6R0.6 OCCCCCBr CS-W007393 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.6 OCCCCCCl CS-0095410 [0,0,0,0,0,0|1,0,0]=1 59 B6R0.6 OCCCCCI CS-0252955 [0,0,0,0,0,0|1,0,0]=1 60 B6R0.6 OCCCCCO CS-W020635 [0,0,0,0,0,0|1,0,0]=1 61 B6R0.6 OCCNCCCl CS-0064563 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.6 OCCOCCBr CS-0114928 [0,0,0,0,0,0|2,0,0]=2 63 B6R0.6 OCCOCCCl CS-0016058 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.6 OCCOCCF CS-0199113 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.6 OCCOCCI CS-0139452 [0,0,0,0,0,0|2,0,0]=2 66 B6R0.6 [N-]=[N+]=NCCCN CS-0620393 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.2 C#CCCCBr CS-0147349 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.2 C#CCCCI CS-0088561 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C#CCCCN CS-0038434 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.2 C=CCCCI CS-0135974 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.2 C=CCCNC CS-0197692 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 CCC#CCBr CS-0188171 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.2 CCC#CCO CS-0143646 [1,0,0,0,0,0|0,0,2]=3 77 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 CCNCCO CS-0076051 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.2 CCSCCN CS-0663845 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.2 CNCCC#N CS-W011357 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CNCCCCl CS-0150991 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 COCCNN CS-0249520 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.2 ClCCCCBr CS-W017647 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 FCCCCBr CS-W018025 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.2 N#CCCCBr CS-W004123 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 NCCCCCl CS-0158355 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.2 NCCCCO CS-W002041 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.2 OCC#CCCl CS-0262802 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.2 OCCCCBr CS-W000344 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.2 OCCCCCl CS-0022417 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.2 OCCCCF CS-0116811 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.2 OCCNCO CS-0203827 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.2 OC\C=C\CO CS-0130476 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.2 OC\C=C\CO CS-B0322 [1,0,0,0,0,0|1,0,2]=4 104 B7R0.1 BrCCCCCCBr CS-0015831 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.1 C#CCCCCCO CS-W007441 [0,1,0,0,0,0|0,0,1]=2 106 B7R0.1 C#CCOCCOC CS-0038923 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.1 C#CCOCCON CS-0114299 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.1 C=CCCCCCBr CS-W009270 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.1 C=CCCCCNC CS-0187593 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.1 C=COCCCCO CS-0077087 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.1 CCCCCCCBr CS-W017293 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.1 CCCCCCCO CS-0152146 [0,1,0,0,0,0|0,0,0]=1 113 B7R0.1 CCCCNCCO CS-0077079 [0,1,0,0,0,0|0,0,0]=1 114 B7R0.1 CCCC\C=C\C=O CS-0185633 [0,1,0,0,0,0|0,0,3]=4 115 B7R0.1 CCCOCCCN CS-0213493 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.1 CCNCCCCO CS-0206547 [0,1,0,0,0,0|0,0,0]=1 117 B7R0.1 CNCCOCCO CS-0209922 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.1 COCC#CCOC CS-0181843 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.1 COCCOCCBr CS-0116183 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.1 COCCOCCI CS-0150162 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.1 COCCOCCN CS-0115786 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.1 COCCOCCN CS-0115787 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.1 COCCOCCN CS-0115788 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.1 COCCOCCN CS-0115790 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.1 COCCOCCN CS-W008429 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.1 COCCOCCO CS-0116122 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.1 COCCOCCO CS-0644881 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.1 COCCOCCO CS-0889987 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.1 COCCOCCO CS-W013578 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.1 COCCOCCS CS-0115760 [0,1,0,0,0,0|1,1,0]=3 131 B7R0.1 COCCOCCS CS-0115764 [0,1,0,0,0,0|1,1,0]=3 132 B7R0.1 COCCOCCS CS-0650914 [0,1,0,0,0,0|1,1,0]=3 133 B7R0.1 ClCCCCCCBr CS-W010503 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.1 ClCCCCCCCl CS-W016259 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.1 ClCCCCCCI CS-0059200 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.1 ICCCCCCI CS-W011914 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.1 N#CCCCCCBr CS-0158396 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.1 N#CCCCCCN CS-0147655 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.1 NCCCCCCBr CS-0158390 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.1 NCCCCCCN CS-W015964 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.1 NCCCCCCO CS-W007957 [0,1,0,0,0,0|0,0,0]=1 142 B7R0.1 NCCCCCCS CS-D0506 [0,1,0,0,0,0|0,1,0]=2 143 B7R0.1 NCCCNCCBr CS-W022895 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.1 NCCCNCCO CS-0158337 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.1 NCCCNCCS CS-7832 [0,1,0,0,0,0|1,1,0]=3 146 B7R0.1 NCCNCCCO CS-0199570 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.1 NCCOCCON CS-1013820 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.1 NCCOCCON CS-1038497 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.1 NCCOCCON CS-1038500 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.1 NCCSSCCN CS-0032055 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.1 NCCSSCCN CS-0086613 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.1 NCC[Se][Se]CCN CS-0158446 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.1 OCCCCCCBr CS-0654104 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.1 OCCCCCCBr CS-W017171 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.1 OCCCCCCCl CS-B1599 [0,1,0,0,0,0|0,0,0]=1 156 B7R0.1 OCCCCCCO CS-W011221 [0,1,0,0,0,0|0,0,0]=1 157 B7R0.1 OCCSSCCO CS-0181622 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.1 [N-]=[N+]=NCCCCN CS-0028502 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.1 [N-]=[N+]=NCCCCN CS-0567236 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.3 C#CC(O)CCCC CS-W011267 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 CCCCC(O)CO CS-W013596 [0,1,0,0,0,0|0,0,0]=1 163 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,1,0,0,0,0|0,0,0]=1 165 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 CCOCC(O)CO CS-0151429 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,1,0,0,0,0|0,0,3]=4 175 B7R0.4 C=CCCCB(O)O CS-0158004 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.4 C=CCCCC(=O)O CS-0113496 [0,1,0,0,0,0|0,0,3]=4 177 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.4 CC(=O)OCCCI CS-0166646 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.4 CC(C)CCCCBr CS-0154231 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.4 CC(C)CCCCO CS-W011227 [0,1,0,0,0,0|0,0,0]=1 182 B7R0.4 CC(O)CCCCO CS-0572924 [0,1,0,0,0,0|0,0,0]=1 183 B7R0.4 CC(O)CSCCO CS-0159777 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.4 CCCCCB(O)O CS-W018820 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.4 CCCCCC(C)O CS-W016595 [0,1,0,0,0,0|0,0,0]=1 186 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,1,0,0,0,0|0,0,0]=1 187 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,1,0,0,0,0|0,0,0]=1 188 B7R0.4 CCCCNC(N)=O CS-0071736 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.4 CCCCNC(N)=S CS-0132422 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.4 CCCNCC(=O)O CS-0250530 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.4 CCCOCC(=O)O CS-0152048 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.4 CCCSCC(=O)O CS-0651549 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [0,1,0,0,0,0|0,0,3]=4 195 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,1,0,0,0,0|0,0,3]=4 196 B7R0.4 CN(C)CCCCCl CS-0059660 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.4 CN(C)CCCCN CS-0206346 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.4 CN(C)CCCCN CS-0669419 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.4 CN(C)CCCCO CS-W022016 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.4 CNCCCC(=O)O CS-0096860 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.4 CNCCCC(=O)O CS-0133777 [0,1,0,0,0,0|1,0,1]=3 202 B7R0.4 COCCCC(=O)O CS-W001021 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,1,0,0,0,0|0,0,3]=4 204 B7R0.4 N#CCCCC(=O)O CS-W018817 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.4 NCCCCC(=O)O CS-0181832 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.4 NCCCCC(=O)O CS-W016594 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.4 NCCNCC(=O)O CS-W013599 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.4 NCCOCC(=O)O CS-0115741 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.4 NCCOCC(=O)O CS-0115743 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.4 NCCOCC(=O)O CS-0127947 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,1,0,0,0,0|1,0,1]=3 212 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,1,0,0,0,0|1,0,1]=3 213 B7R0.4 O=C(O)CNCCO CS-0158315 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.4 O=C(O)COCCBr CS-0105329 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.4 O=C(O)COCCCl CS-W006556 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.4 O=C(O)COCCS CS-0115755 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.4 O=C(O)COCCS CS-0115757 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.4 O=C([O-])COCCO CS-0158309 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.4 O=[N+]([O-])OCCCO CS-0213543 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.7 C#CCN(C)CCO CS-0198423 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.7 CC(CCO)CCO CS-0188324 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.7 CCCC(Br)CCC CS-0106173 [0,1,0,0,0,0|1,0,0]=2 224 B7R0.7 CCCC(O)CCC CS-0132313 [0,1,0,0,0,0|1,0,0]=2 225 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,1,0,0,0,0|0,0,0]=1 226 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.7 CCOC(=O)CCI CS-W002223 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.7 CCOC(=O)CCN CS-W019943 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,0,0,0,0|1,0,1]=3 231 B7R0.7 CN(CCN)CCN CS-0151248 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.7 COCC(O)COC CS-W018661 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.7 OCCC(O)CCO CS-0469963 [0,1,0,0,0,0|1,0,0]=2 236 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.1 BrCC1CCOC1 CS-W004268 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.1 C#CC1CCOC1 CS-0170800 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.1 CCC1CCCN1 CS-0454761 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.1 COC1CCNC1 CS-0039937 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.1 ClCC1OCCO1 CS-0137170 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.1 Cl[Au][SH]1CCCC1 CS-0111128 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.1 ICC1CCCC1 CS-0309298 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.1 ICC1CCOC1 CS-W004269 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.1 N#CC1CCCC1 CS-0072286 [0,0,0,1,0,0|1,0,1]=3 255 B7R1.1 N#CC1CCOC1 CS-W004270 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.1 N#CN1CCCC1 CS-0155293 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,0,0,1,0,0|1,0,0]=2 265 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,0,0,1,0,0|1,0,0]=2 266 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.1 NNC1CCCC1 CS-D0525 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.1 O=CC1CCOC1 CS-W004272 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.1 O=CN1CCCC1 CS-0155290 [0,0,0,1,0,0|1,0,2]=4 272 B7R1.1 O=NN1CCCC1 CS-0199565 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.1 OCC1CC=CC1 CS-W003141 [0,0,0,1,0,0|0,0,2]=3 274 B7R1.1 OCC1CCCC1 CS-W001923 [0,0,0,1,0,0|0,0,0]=1 275 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|1,0,0]=2 278 B7R1.1 OCC1OCCO1 CS-W019186 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|1,0,0]=2 284 B7R1.1 ON=C1CCCC1 CS-W013717 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|1,0,0]=2 287 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,0,0]=2 288 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|1,0,2]=4 289 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,0,0,1,0,0|1,0,2]=4 290 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.3 BrC1CCOCC1 CS-W003396 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|1,0,1]=3 298 B7R1.3 CC1CCOCC1 CS-0233092 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|1,0,0]=2 302 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|1,1,0]=3 304 B7R1.3 CN1CCNCC1 CS-W017563 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,1,0,0|1,0,0]=2 309 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|1,0,0]=2 310 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,0,0,1,0,0|1,0,0]=2 313 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.3 ClC1CCCCC1 CS-0198086 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,1,0,0|2,0,0]=3 318 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.3 FC1CCCNC1 CS-W001632 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.3 FC1CCNCC1 CS-0101735 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.3 IC1CCCCC1 CS-0148628 [0,0,0,1,0,0|1,0,0]=2 324 B7R1.3 IC1CCNCC1 CS-0145320 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.3 IC1CCOCC1 CS-W004278 [0,0,0,1,0,0|2,0,0]=3 326 B7R1.3 NC1CC=CCC1 CS-0076943 [0,0,0,1,0,0|1,0,2]=4 327 B7R1.3 NC1CCCCC1 CS-W013335 [0,0,0,1,0,0|1,0,0]=2 328 B7R1.3 NC1CCCNC1 CS-W002078 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.3 NC1CCCOC1 CS-0069616 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|2,0,0]=3 333 B7R1.3 NC1CCSCC1 CS-0043960 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.3 NC1CCSCC1 CS-W000397 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.3 NN1CCOCC1 CS-W001074 [0,0,0,1,0,0|3,0,0]=4 337 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,0,0,1,0,0|2,0,0]=3 339 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,1,0,0|1,0,1]=3 342 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,1,0,0|1,0,2]=4 343 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,0,2]=4 345 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,2]=4 346 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|1,0,2]=4 347 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,1,0,0|1,0,2]=4 348 B7R1.3 O=C1CNCCO1 CS-0098127 [0,0,0,1,0,0|2,0,1]=4 349 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.3 O=C1NCCCO1 CS-0088044 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.3 O=C1OCCCO1 CS-0155207 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.3 OC1C=CCCC1 CS-W011333 [0,0,0,1,0,0|0,0,2]=3 354 B7R1.3 OC1CC=CCC1 CS-0161778 [0,0,0,1,0,0|0,0,2]=3 355 B7R1.3 OC1CCCCC1 CS-0017198 [0,0,0,1,0,0|0,0,0]=1 356 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,0]=2 357 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|1,0,0]=2 358 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,0,0]=2 360 B7R1.3 OC1CCNCC1 CS-W002165 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,1,0,0|1,0,0]=2 362 B7R1.3 OC1CCOCC1 CS-W004264 [0,0,0,1,0,0|1,0,0]=2 363 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,1,0,0|1,0,0]=2 364 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 OC1COCOC1 CS-W016639 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 ON1CCCCC1 CS-W016646 [0,0,0,1,0,0|1,0,0]=2 367 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,0,0,1,0,0|1,0,0]=2 368 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,0,0,1,0,0|1,0,0]=2 369 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,1,0,0|0,1,1]=3 371 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,0,0,1,0,0|2,0,0]=3 372 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,0,0,1,0,0|1,0,0]=2 374 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|1,0,0]=2 377 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|1,0,2]=4 378 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|1,0,2]=4 379 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|1,0,2]=4 380 B7R1.4 CC1OCCC1S CS-W013594 [0,0,0,1,0,0|1,1,0]=3 381 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|1,0,2]=4 382 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|1,0,2]=4 383 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|1,1,1]=4 384 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,0,0,1,0,0|1,0,0]=2 385 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,0,0,1,0,0|3,0,0]=4 386 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,0,0,1,0,0|1,0,0]=2 387 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,0,0,1,0,0|1,0,0]=2 388 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,0,0,1,0,0|1,0,0]=2 389 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|3,0,0]=4 390 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 391 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,0,0,1,0,0|1,0,0]=2 392 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|1,0,0]=2 394 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,1]=4 397 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|2,0,1]=4 400 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,0,0,1,0,0|2,0,1]=4 401 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|1,0,0]=2 402 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,0,0,1,0,0|2,0,0]=3 403 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,0,0,1,0,0|2,0,0]=3 404 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,0,0,1,0,0|2,0,0]=3 408 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.6 COCC1CNC1 CS-W023140 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.6 N#CCN1CCC1 CS-0184229 [0,0,0,1,0,0|2,0,1]=4 412 B7R1.6 NCCN1CCC1 CS-0127626 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.6 NOCC1CCC1 CS-0145228 [0,0,0,1,0,0|2,0,0]=3 414 B7R1.6 OCCC1COC1 CS-0052216 [0,0,0,1,0,0|1,0,0]=2 415 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|1,0,0]=2 416 B7R1.7 BrCC#CC1CC1 CS-0043911 [0,0,0,1,0,0|1,0,2]=4 417 B7R1.7 OCC#CC1CC1 CS-0051385 [0,0,0,1,0,0|0,0,2]=3 418 B7R1.7 OCCNC1CC1 CS-0072588 [0,0,0,1,0,0|1,0,0]=2 419 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,0,0,1,0,0|1,0,0]=2 420 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,0,0,1,0,0|1,0,0]=2 421 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.24 C1CNCCOC1 CS-0171615 [0,0,0,1,0,0|1,0,0]=2 423 B7R1.24 C1CNCCOC1 CS-B1101 [0,0,0,1,0,0|1,0,0]=2 424 B4R0.2 BrCCCI CS-0199040 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.2 C#CCCO CS-W001947 [2,0,0,0,0,0|0,0,2]=4 426 B4R0.2 CC#CCO CS-B1382 [2,0,0,0,0,0|0,0,2]=4 427 B4R0.2 CCCCN CS-0214149 [2,0,0,0,0,0|1,0,0]=3 428 B4R0.2 CCCNN CS-0152064 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,0]=3 430 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 CNCCCl CS-W019383 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|1,0,0]=3 434 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|2,0,0]=4 436 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|1,0,0]=3 438 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|1,0,0]=3 440 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 442 B4R0.2 FCCCI CS-0121313 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.2 ICCCI CS-W012156 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.2 N#CCCO CS-W001263 [2,0,0,0,0,0|1,0,1]=4 445 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.2 NCCCN CS-0214047 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.2 NCCCN CS-0214116 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,0,0]=3 452 B4R0.2 OCCCF CS-0170820 [2,0,0,0,0,0|1,0,0]=3 453 B4R0.2 OCCCI CS-W015993 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,0,0]=3 455 B6R0.1 C#CC(O)CCC CS-W016658 [1,1,0,0,0,0|0,0,2]=4 456 B6R0.1 C=CCC(N)CO CS-0197807 [1,1,0,0,0,0|0,0,2]=4 457 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [1,1,0,0,0,0|0,0,2]=4 458 B6R0.1 CC(CO)CCN CS-0154050 [1,1,0,0,0,0|1,0,0]=3 459 B6R0.1 CC(CO)CCO CS-0517219 [1,1,0,0,0,0|1,0,0]=3 460 B6R0.1 CCC(=O)COC CS-0213932 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.1 CCCC(Cl)CC CS-0102884 [1,1,0,0,0,0|0,0,0]=2 462 B6R0.1 CCCC(N)C#N CS-0255763 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.1 CCCC(O)CO CS-0017222 [1,1,0,0,0,0|0,0,0]=2 464 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,1,0,0,0,0|0,0,0]=2 465 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,1,0,0,0,0|0,0,0]=2 466 B6R0.1 CCOC(=O)CO CS-W019892 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.1 CCOC(C)CC CS-0196425 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.1 CNC(=O)CCO CS-0188403 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.1 CNC(C)COC CS-0301311 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.1 CNCC(O)CO CS-0151017 [1,1,0,0,0,0|1,0,0]=3 471 B6R0.1 COC(=O)CCO CS-0022864 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.1 COC(C)CCO CS-W013686 [1,1,0,0,0,0|1,0,0]=3 473 B6R0.1 COCC(N)CO CS-0106469 [1,1,0,0,0,0|1,0,0]=3 474 B6R0.1 COCC(O)CN CS-0106474 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.1 OCCC(O)CO CS-0008443 [1,1,0,0,0,0|1,0,0]=3 476 B6R0.1 OCC[C@H](O)CO CS-0000034 [1,1,0,0,0,0|1,0,0]=3 477 B6R0.4 C=CCCC(C)O CS-0513969 [1,1,0,0,0,0|0,0,2]=4 478 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|0,0,1]=3 480 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.4 CC(=O)OCCO CS-0154995 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.4 CC(Br)CCCBr CS-0204659 [1,1,0,0,0,0|1,0,0]=3 483 B6R0.4 CC(C)CCCBr CS-0154233 [1,1,0,0,0,0|1,0,0]=3 484 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|0,0,0]=2 485 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.4 CC(C)NCCN CS-0199017 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.4 CC(C)NCCO CS-0076304 [1,1,0,0,0,0|1,0,0]=3 488 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.4 CC(O)CCCO CS-0154051 [1,1,0,0,0,0|0,0,0]=2 490 B6R0.4 CCCCB(O)O CS-W000932 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.4 CCCCC(=N)N CS-0122242 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.4 CCCCC(N)=S CS-0248646 [1,1,0,0,0,0|0,1,1]=4 493 B6R0.4 CCCCS(=O)[O-] CS-0851776 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,1,0,0,0,0|0,0,0]=2 495 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,1,0,0,0,0|0,0,0]=2 496 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.4 CCNCC(C)C CS-0071534 [1,1,0,0,0,0|1,0,0]=3 499 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.4 CN(C)CCCBr CS-W003771 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.4 CN(C)CCCCl CS-W004690 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.4 CN(C)CCCN CS-0214111 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,0]=3 508 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,1,0,0,0,0|0,0,0]=2 514 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,1,0,0,0,0|0,0,0]=2 515 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [1,1,0,0,0,0|2,0,0]=4 519 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,2,0,0,0,0|0,0,2]=4 520 B8R0.1 CCCCC(O)CCC CS-0362569 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.1 CCCCN(C)CCO CS-0132259 [0,2,0,0,0,0|0,0,0]=2 522 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.4 BrCCCCCCCBr CS-W010166 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.4 BrCCCOCCCBr CS-0526980 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.4 C#CCCCCCCBr CS-0648097 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.4 C#CCCCCCCO CS-W008554 [0,2,0,0,0,0|0,0,0]=2 529 B8R0.4 C=CCCCCCCBr CS-W010733 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.4 C=CCCCCCCO CS-0185603 [0,2,0,0,0,0|0,0,0]=2 531 B8R0.4 C=COCCOCCO CS-0167854 [0,2,0,0,0,0|0,0,2]=4 532 B8R0.4 CCCC=C=CCCO CS-1173689 [0,2,0,0,0,0|0,0,1]=3 533 B8R0.4 CCCCC#CCCO CS-0315148 [0,2,0,0,0,0|0,0,0]=2 534 B8R0.4 CCCCCCCC=O CS-0138976 [0,2,0,0,0,0|0,0,1]=3 535 B8R0.4 CCCCCCCCBr CS-0076039 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.4 CCCCCCCCI CS-0188391 [0,2,0,0,0,0|1,0,0]=3 537 B8R0.4 CCCCCCCCN CS-0076038 [0,2,0,0,0,0|1,0,0]=3 538 B8R0.4 CCCCCCCCN CS-0179378 [0,2,0,0,0,0|1,0,0]=3 539 B8R0.4 CCCCCCCCO CS-0076037 [0,2,0,0,0,0|0,0,0]=2 540 B8R0.4 CCCCC\C=C\C=O CS-0200283 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.4 CCCCC\C=C\CO CS-0152366 [0,2,0,0,0,0|0,0,0]=2 542 B8R0.4 CCCCOCCCN CS-0130475 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.4 CCCCSCCCC CS-0255960 [0,2,0,0,0,0|1,0,0]=3 544 B8R0.4 COCCNCCOC CS-D1692 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.4 COCCOCCOC CS-0017205 [0,2,0,0,0,0|1,0,0]=3 546 B8R0.4 COCCOCCOC CS-0099019 [0,2,0,0,0,0|1,0,0]=3 547 B8R0.4 COCOCOCOC CS-0186491 [0,2,0,0,0,0|2,0,0]=4 548 B8R0.4 ClCCCOCCCCl CS-0169240 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.4 NCCCCCCCN CS-W009537 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.4 NCCCCCCCO CS-0088962 [0,2,0,0,0,0|0,0,0]=2 551 B8R0.4 NCCCOCCCN CS-0207652 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.4 NCCCOCCCO CS-0147757 [0,2,0,0,0,0|0,0,0]=2 553 B8R0.4 OCCCCCCCBr CS-W008425 [0,2,0,0,0,0|0,0,0]=2 554 B8R0.4 OCCCCCCCO CS-W013404 [0,2,0,0,0,0|0,0,0]=2 555 B8R0.4 OCCCNCCCO CS-0186731 [0,2,0,0,0,0|0,0,0]=2 556 B8R0.4 OCCCOCCCCl CS-0147762 [0,2,0,0,0,0|0,0,0]=2 557 B8R0.4 OCCCOCCCO CS-0131092 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.4 [N-]=[N+]=NCCCCCN CS-0626851 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.4 [N-]=[N+]=NCCOCCO CS-0114587 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.6 C#CC(O)CCCCC CS-W011154 [0,2,0,0,0,0|0,0,0]=2 561 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.6 C=CC(O)CCCCC CS-W011126 [0,2,0,0,0,0|0,0,0]=2 563 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,2,0,0,0,0|0,0,2]=4 564 B8R0.6 CCCCCC(O)CC CS-0152331 [0,2,0,0,0,0|0,0,0]=2 565 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,2,0,0,0,0|0,0,0]=2 566 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,2,0,0,0,0|1,0,1]=4 567 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,2,0,0,0,0|1,0,1]=4 568 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,2,0,0,0,0|0,1,1]=4 569 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,2,0,0,0,0|1,0,1]=4 570 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|1,0,1]=4 572 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.6 COC(=O)CCCCO CS-0021769 [0,2,0,0,0,0|0,0,1]=3 574 B8R0.6 COCCCC(=O)OC CS-W011093 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,2,0,0,0,0|0,0,2]=4 577 B8R0.7 C=CCCCCB(O)O CS-0130748 [0,2,0,0,0,0|0,0,2]=4 578 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,2,0,0,0,0|1,0,1]=4 580 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,2,0,0,0,0|1,0,1]=4 581 B8R0.7 CC(C)CCCCCO CS-0210352 [0,2,0,0,0,0|0,0,0]=2 582 B8R0.7 CC(C)CCCCCO CS-0641181 [0,2,0,0,0,0|0,0,0]=2 583 B8R0.7 CC(C)NCCCCO CS-M3069 [0,2,0,0,0,0|0,0,0]=2 584 B8R0.7 CCCCCCB(O)O CS-W000880 [0,2,0,0,0,0|0,0,0]=2 585 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,2,0,0,0,0|0,0,1]=3 586 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.7 CCCCCCC(C)O CS-W011107 [0,2,0,0,0,0|0,0,0]=2 588 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,2,0,0,0,0|0,0,0]=2 590 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,2,0,0,0,0|0,0,0]=2 591 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,2,0,0,0,0|0,0,1]=3 592 B8R0.7 CCCC\C=C\B(O)O CS-0094491 [0,2,0,0,0,0|0,0,2]=4 593 B8R0.7 CN(C)CCCCCN CS-0044781 [0,2,0,0,0,0|1,0,0]=3 594 B8R0.7 CN(C)CCOCCO CS-W011078 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.7 COCCOCC(=O)O CS-0084611 [0,2,0,0,0,0|1,0,1]=4 596 B8R0.7 COCCOCC(=O)O CS-0527879 [0,2,0,0,0,0|1,0,1]=4 597 B8R0.7 COCCOCC(=O)O CS-0527882 [0,2,0,0,0,0|1,0,1]=4 598 B8R0.7 FC(F)CCCCCBr CS-0639269 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,2,0,0,0,0|0,0,2]=4 600 B8R0.7 NCCCCCC(=O)O CS-2204 [0,2,0,0,0,0|0,0,1]=3 601 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,2,0,0,0,0|0,0,2]=4 602 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,2,0,0,0,0|0,0,1]=3 603 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,2,0,0,0,0|0,0,1]=3 604 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,2,0,0,0,0|0,0,1]=3 605 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,2,0,0,0,0|0,0,1]=3 606 B8R0.7 O=C(O)CCOCCBr CS-0107735 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.7 O=C(O)CCOCCO CS-0066172 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.7 O=C(O)CCOCCO CS-0528773 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,2,0,0,0,0|0,0,1]=3 610 B8R0.3 CCOC(=O)C(N)CO CS-0022343 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.3 CCOC(=O)[C@@H](N)CO CS-W017712 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.3 O=CC[C@H](O)[C@H](O)CO CS-M3535 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,2,0,0,0,0|0,0,2]=4 615 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,2,0,0,0,0|0,0,1]=3 616 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,2,0,0,0,0|0,0,1]=3 617 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [0,2,0,0,0,0|0,0,1]=3 618 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [0,2,0,0,0,0|0,0,1]=3 619 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [0,2,0,0,0,0|1,0,1]=4 622 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.11 CCCCC(CC)CCl CS-W016329 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,0,0]=2 633 B8R0.11 CCCCC(CO)CO CS-W016543 [0,2,0,0,0,0|0,0,0]=2 634 B8R0.11 CCN(CC)CCCO CS-W011099 [0,2,0,0,0,0|1,0,0]=3 635 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.19 CC(CO)OC(C)CO CS-0198103 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.19 CC(CO)OC(C)CO CS-0700641 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.25 CCCC[Si](C)(C)CCl CS-0450854 [0,2,0,0,0,0|1,1,0]=4 639 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,2,0,0,0,0|0,0,1]=3 640 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,2,0,0,0,0|0,0,1]=3 641 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,2,0,0,0,0|1,0,1]=4 642 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.21 CC(C)(C)OCCCN CS-0205575 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.21 CC(C)(C)SCCCBr CS-0246998 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.21 O=S(=O)(O)CCCCO CS-0132130 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.21 O=S(=O)([O-])CCCCO CS-0465125 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.21 OCCCCC(F)(F)F CS-0121736 [0,2,0,0,0,0|1,0,0]=3 649 B8R0.21 OCCNCC(F)(F)F CS-B1165 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.21 OCCOCC(F)(F)F CS-0059814 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,2,0,0,0,0|0,0,2]=4 652 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,2,0,0,0,0|0,0,2]=4 653 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,2,0,0,0,0|0,0,2]=4 654 B8R0.28 CC(C)CNCC(C)C CS-0154216 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,2,0,0,0,0|0,0,2]=4 657 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,2,0,0,0,0|1,0,1]=4 658 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,2,0,0,0,0|1,0,1]=4 659 B8R0.22 CCCC(C#N)CCC CS-0186685 [0,2,0,0,0,0|1,0,0]=3 660 B8R0.22 CCCC(CO)CCC CS-0204896 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.30 CCCC(C)(O)CCC CS-0360467 [0,2,0,0,0,0|1,0,0]=3 663 B8R0.30 O=S(=O)(CCO)CCO CS-0925815 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.30 O=S(=O)(CCO)CCO CS-W019027 [0,2,0,0,0,0|2,0,0]=4 665 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 666 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|1,0,0]=3 667 B6R1.1 C1CNCCN1 CS-0214091 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.1 C1CNCCN1 CS-0214115 [1,0,0,1,0,0|2,0,0]=4 669 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,1,0]=4 670 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|1,0,0]=3 671 B6R1.1 C1CSCCS1 CS-0698377 [1,0,0,1,0,0|1,1,0]=4 672 B6R1.1 C1CSCSC1 CS-W001189 [1,0,0,1,0,0|1,1,0]=4 673 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 674 B6R1.2 BrC1CCOC1 CS-W004035 [1,0,0,1,0,0|2,0,0]=4 675 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|1,0,0]=3 676 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 677 B6R1.2 C[C@H]1CCNC1 CS-0040457 [1,0,0,1,0,0|1,0,0]=3 678 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|2,0,0]=4 680 B6R1.2 IC1CCCC1 CS-0067150 [1,0,0,1,0,0|1,0,0]=3 681 B6R1.2 IC1CCOC1 CS-W004266 [1,0,0,1,0,0|2,0,0]=4 682 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [1,0,0,1,0,0|2,0,0]=4 683 B6R1.2 I[C@H]1CCOC1 CS-0053265 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|2,0,0]=4 685 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 686 B6R1.2 NC1CCOC1 CS-W011353 [1,0,0,1,0,0|2,0,0]=4 687 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [1,0,0,1,0,0|2,0,0]=4 688 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 689 B6R1.2 N[C@H]1CCNC1 CS-W013278 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.2 N[C@H]1CCOC1 CS-W019697 [1,0,0,1,0,0|2,0,0]=4 691 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,0,1]=4 692 B6R1.2 OC1C=CCC1 CS-0451001 [1,0,0,1,0,0|0,0,2]=4 693 B6R1.2 OC1CC=CC1 CS-W002682 [1,0,0,1,0,0|0,0,2]=4 694 B6R1.2 OC1CCNC1 CS-W002985 [1,0,0,1,0,0|1,0,0]=3 695 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,0,0]=3 696 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,0,0]=3 697 B6R1.2 OC1CCSC1 CS-0185375 [1,0,0,1,0,0|1,0,0]=3 698 B6R1.2 OC1CNOC1 CS-0271204 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,0,0]=3 700 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,0,0]=3 701 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,0,0]=3 702 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,0,0]=3 703 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,0]=3 704 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,0,0]=3 705 B6R1.2 O[C@H]1CNOC1 CS-0060087 [1,0,0,1,0,0|2,0,0]=4 706 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|1,0,0]=3 707 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|2,0,0]=4 708 B6R1.3 BrCCC1CO1 CS-0158422 [1,0,0,1,0,0|1,0,0]=3 709 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|1,0,0]=3 710 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|1,0,0]=3 711 B6R1.3 COC[C@H]1CO1 CS-0165613 [1,0,0,1,0,0|1,0,0]=3 712 B6R1.3 ICCC1CC1 CS-0012702 [1,0,0,1,0,0|1,0,0]=3 713 B6R1.3 N#CCC1CC1 CS-0051913 [1,0,0,1,0,0|1,0,1]=4 714 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|1,0,0]=3 715 B6R1.3 NOCC1CC1 CS-W019324 [1,0,0,1,0,0|2,0,0]=4 716 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|0,0,0]=2 717 B6R1.3 OCCN1CC1 CS-W023058 [1,0,0,1,0,0|1,0,0]=3 718 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|1,0,0]=3 719 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [1,0,0,1,0,0|1,0,0]=3 720 B6R1.4 NC1CCC1F CS-0505919 [1,0,0,1,0,0|2,0,0]=4 721 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [1,0,0,1,0,0|1,0,0]=3 722 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,0]=3 723 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|2,0,0]=4 724 B6R1.6 CNC1CCC1 CS-0054580 [1,0,0,1,0,0|1,0,0]=3 725 B6R1.6 CNC1CNC1 CS-0043910 [1,0,0,1,0,0|2,0,0]=4 726 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|2,0,0]=4 727 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|2,0,0]=4 728 B6R1.6 CSC1CNC1 CS-0051673 [1,0,0,1,0,0|2,0,0]=4 729 B6R1.6 FCC1CNC1 CS-0085106 [1,0,0,1,0,0|2,0,0]=4 730 B6R1.6 ICC1CCC1 CS-0053096 [1,0,0,1,0,0|1,0,0]=3 731 B6R1.6 ICC1CCO1 CS-0052227 [1,0,0,1,0,0|1,0,0]=3 732 B6R1.6 ICC1COC1 CS-0045504 [1,0,0,1,0,0|2,0,0]=4 733 B6R1.6 N#CC1CCC1 CS-0007644 [1,0,0,1,0,0|1,0,1]=4 734 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|1,0,0]=3 735 B6R1.6 NCC1CCO1 CS-0048767 [1,0,0,1,0,0|1,0,0]=3 736 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 737 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 738 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [1,0,0,1,0,0|1,0,0]=3 739 B6R1.6 NNC1CCC1 CS-0054590 [1,0,0,1,0,0|2,0,0]=4 740 B6R1.6 NNC1CCC1 CS-D1710 [1,0,0,1,0,0|2,0,0]=4 741 B6R1.6 OCC1CCC1 CS-W001922 [1,0,0,1,0,0|0,0,0]=2 742 B6R1.6 OCC1CCN1 CS-0049913 [1,0,0,1,0,0|1,0,0]=3 743 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|1,0,0]=3 744 B6R1.6 OCC1CNC1 CS-D1756 [1,0,0,1,0,0|1,0,0]=3 745 B6R1.8 C=C1CC1CO CS-0054284 [1,0,0,1,0,0|0,0,2]=4 746 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,1,0,1,0,0|0,0,0]=2 748 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.2 CCC1CCNCC1 CS-0147296 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|0,0,0]=2 757 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,1,0,1,0,0|0,0,0]=2 759 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,1,0,1,0,0|0,0,0]=2 763 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.2 CNC1CCCNC1 CS-W016863 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.2 CNC1CCNCC1 CS-0048783 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.2 CNC1CCOCC1 CS-D1570 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.2 COC1CCCCO1 CS-0197358 [0,1,0,1,0,0|0,0,0]=2 769 B8R1.2 COC1CCCNC1 CS-0051284 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.2 COC1CCCNC1 CS-0150202 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.2 CSC1CCNCC1 CS-0051141 [0,1,0,1,0,0|1,1,0]=4 776 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.2 ClCC1CNCCO1 CS-0060823 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.2 FCC1CCCNC1 CS-W001354 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.2 ICC1CCCCC1 CS-0155327 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.2 ICC1CCCCO1 CS-0058218 [0,1,0,1,0,0|0,0,0]=2 782 B8R1.2 ICC1CCOCC1 CS-W001910 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.2 N#CC1CCCCN1 CS-0187605 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.2 N#CC1CCCNC1 CS-0315616 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.2 N#CC1CNCCO1 CS-W005833 [0,1,0,1,0,0|1,0,1]=4 790 B8R1.2 N#C[C@@H]1CCCNC1 CS-0053312 [0,1,0,1,0,0|1,0,1]=4 791 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.2 N#C[C@@H]1CNCCO1 CS-0103653 [0,1,0,1,0,0|1,0,1]=4 793 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.2 NCC1CCCOC1 CS-0048770 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.2 NCC1CCNCC1 CS-W011241 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.2 NCC1CCOCC1 CS-0036420 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.2 NCC1CCSCC1 CS-0045666 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.2 NCC1COCCO1 CS-0055041 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.2 NNC1CCNCC1 CS-0109590 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.2 NNC1CCOCC1 CS-0037407 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.2 NNC1CCOCC1 CS-0047579 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.2 NNC1CCOCC1 CS-B0289 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,1,0,1,0,0|0,0,2]=4 811 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,1,0,1,0,0|0,0,2]=4 813 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|0,0,2]=4 814 B8R1.2 OCC1CC=CCC1 CS-W013655 [0,1,0,1,0,0|0,0,1]=3 815 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,1,0,1,0,0|0,0,2]=4 816 B8R1.2 OCC1CCCCC1 CS-W011242 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|0,0,0]=2 818 B8R1.2 OCC1CCCCO1 CS-0034490 [0,1,0,1,0,0|0,0,0]=2 819 B8R1.2 OCC1CCCNC1 CS-W001981 [0,1,0,1,0,0|0,0,0]=2 820 B8R1.2 OCC1CCCOC1 CS-D0478 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.2 OCC1CCNCC1 CS-0185406 [0,1,0,1,0,0|0,0,0]=2 822 B8R1.2 OCC1CCNCC1 CS-W002476 [0,1,0,1,0,0|0,0,0]=2 823 B8R1.2 OCC1CCOCC1 CS-D1227 [0,1,0,1,0,0|0,0,0]=2 824 B8R1.2 OCC1CCSCC1 CS-0053969 [0,1,0,1,0,0|0,0,0]=2 825 B8R1.2 OCC1CNCCN1 CS-0146587 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.2 OCC1CNCCO1 CS-0106282 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.2 OCC1COCCO1 CS-0130467 [0,1,0,1,0,0|1,0,0]=3 831 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,1,0,1,0,0|0,0,0]=2 832 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|0,0,0]=2 833 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|0,0,0]=2 840 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,1,0,1,0,0|0,0,0]=2 841 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,1,0,1,0,0|0,0,0]=2 842 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.2 ON=C1CCSCC1 CS-0045803 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.2 ONC1CCCCC1 CS-0155321 [0,1,0,1,0,0|0,0,0]=2 852 B8R1.5 CC1CCCCC1N CS-W013646 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|0,0,2]=4 854 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,0,2]=4 855 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|0,0,2]=4 856 B8R1.5 CC1CNCCC1O CS-0051241 [0,1,0,1,0,0|0,0,0]=2 857 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|0,0,2]=4 859 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,1,0,1,0,0|0,0,0]=2 863 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|0,0,2]=4 868 B8R1.5 NC1CCCCC1N CS-0514846 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.5 NC1CCCCC1O CS-0128497 [0,1,0,1,0,0|0,0,0]=2 870 B8R1.5 NC1CCCCC1O CS-0330487 [0,1,0,1,0,0|0,0,0]=2 871 B8R1.5 NC1CCCN=C1O CS-W005854 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [0,1,0,1,0,0|0,0,0]=2 873 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,1,0,1,0,0|0,0,0]=2 876 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,1,0,1,0,0|0,0,0]=2 877 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [0,1,0,1,0,0|0,0,0]=2 878 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|0,0,0]=2 879 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0049705 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|0,0,0]=2 884 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|0,0,0]=2 885 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [0,1,0,1,0,0|0,0,0]=2 887 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,1,0,1,0,0|0,0,0]=2 888 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [0,1,0,1,0,0|1,0,0]=3 890 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|0,0,2]=4 891 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|0,0,1]=3 892 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.5 OC1CCCCC1Cl CS-W016535 [0,1,0,1,0,0|0,0,0]=2 894 B8R1.5 OC1CCCCC1O CS-0155355 [0,1,0,1,0,0|0,0,0]=2 895 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [0,1,0,1,0,0|0,0,0]=2 896 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.5 O[C@@H]1CSSC[C@H]1O CS-0157913 [0,1,0,1,0,0|2,0,0]=4 898 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,1,0,1,0,0|0,0,0]=2 899 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [0,1,0,1,0,0|1,0,0]=3 901 B8R1.8 BrCCC1OCCO1 CS-W019935 [0,1,0,1,0,0|1,0,0]=3 902 B8R1.8 BrCCN1CCCC1 CS-0040578 [0,1,0,1,0,0|1,0,0]=3 903 B8R1.8 C#CCN1CCCC1 CS-0058395 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.8 C#CCN1CCCC1 CS-W005949 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.8 CNCC1CCCN1 CS-0162490 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.8 CNCC1CCOC1 CS-0048865 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.8 COCC1CCNC1 CS-0058668 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.8 N#CCC1CCCC1 CS-0060786 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.8 N#CCN1CCCC1 CS-0155280 [0,1,0,1,0,0|1,0,1]=4 916 B8R1.8 N#CCN1CCCC1 CS-0155281 [0,1,0,1,0,0|1,0,1]=4 917 B8R1.8 NCCC1CCCC1 CS-W006125 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.8 OCCC1CCCC1 CS-0055010 [0,1,0,1,0,0|0,0,0]=2 920 B8R1.8 OCCC1CCCO1 CS-0451231 [0,1,0,1,0,0|0,0,0]=2 921 B8R1.8 OCCC1CCOC1 CS-0240119 [0,1,0,1,0,0|0,0,0]=2 922 B8R1.8 OCCN1CCOC1 CS-0374348 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [0,1,0,1,0,0|0,0,0]=2 924 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|0,0,1]=3 925 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|0,0,2]=4 926 B8R1.11 CN1CCCC1CN CS-0128646 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.11 CN1CCCC1CO CS-W019511 [0,1,0,1,0,0|0,0,0]=2 928 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|0,0,0]=2 934 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0047754 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [0,1,0,1,0,0|0,0,0]=2 936 B8R1.11 N#C[C@@H]1CCC[C@H]1O CS-0160316 [0,1,0,1,0,0|0,0,1]=3 937 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|0,0,1]=3 938 B8R1.11 O=C1NCCC1CO CS-0051681 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.11 OC[C@H]1OCC[C@@H]1O CS-0089202 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,1,0,1,0,0|1,0,0]=3 942 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,1,0,1,0,0|0,0,2]=4 943 B8R1.22 CC1CCCNCC1 CS-0199646 [0,1,0,1,0,0|1,0,0]=3 944 B8R1.22 CN1CCCNCC1 CS-W013631 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.22 FC1CCCCNC1 CS-0308682 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.22 NC1CCCCCC1 CS-0071927 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.22 NC1CCCCNC1 CS-W002928 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.22 NC1CCCNCC1 CS-0271304 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,1,0,1,0,0|1,0,0]=3 952 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|0,0,2]=4 953 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|0,0,2]=4 954 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|0,0,2]=4 955 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,1]=4 956 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,1,0,0|1,0,1]=4 959 B8R1.22 OC1CCCCCC1 CS-W013633 [0,1,0,1,0,0|0,0,0]=2 960 B8R1.22 OC1CCCCNC1 CS-0475252 [0,1,0,1,0,0|0,0,0]=2 961 B8R1.22 OC1CCCNCC1 CS-0038201 [0,1,0,1,0,0|0,0,0]=2 962 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [0,1,0,1,0,0|1,0,0]=3 965 B8R1.36 C#CCOCC1CO1 CS-0199006 [0,1,0,1,0,0|0,0,2]=4 966 B8R1.36 CCCCCC1CO1 CS-0205209 [0,1,0,1,0,0|0,0,0]=2 967 B8R1.36 N#CCCNC1CC1 CS-0247670 [0,1,0,1,0,0|1,0,1]=4 968 B8R1.49 C1=CCCCCCC1 CS-0035172 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.49 C1CCCNCCC1 CS-0204387 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|0,0,2]=4 971 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.1 CN1CCC(CO)C1 CS-0005413 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.1 CN1CC[C@@H](CO)C1 CS-D0333 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 CS-0162437 [0,1,0,1,0,0|0,0,2]=4 976 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,1,0,1,0,0|1,0,1]=4 977 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|1,0,1]=4 978 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|0,0,1]=3 979 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,1,0,1,0,0|1,0,1]=4 980 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,1,0,1,0,0|1,0,1]=4 981 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,1,0,1,0,0|1,0,1]=4 983 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 CS-0035888 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.1 OC[C@@H]1C[C@H](F)CN1 CS-0466009 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.1 OC[C@H]1C[C@@H](F)CN1 CS-0623474 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|0,0,2]=4 990 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,1,0,1,0,0|0,0,0]=2 991 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,1,0,1,0,0|1,0,1]=4 992 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.3 CN1CCC(N)CC1 CS-0151104 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,1,0,1,0,0|1,0,1]=4 998 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,1,0,1,0,0|0,0,0]=2 1001 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,1,0,1,0,0|0,0,0]=2 1004 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,1,0,1,0,0|1,0,1]=4 1005 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0048757 [0,1,0,1,0,0|2,0,0]=4 1006 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|0,0,2]=4 1009 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,1,0,1,0,0|1,0,0]=3 1010 B8R1.3 NC1CCC(N)CC1 CS-0096883 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.3 NC1CCC(O)CC1 CS-0127650 [0,1,0,1,0,0|0,0,0]=2 1012 B8R1.3 NC1CCC(O)CC1 CS-W019318 [0,1,0,1,0,0|0,0,0]=2 1013 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,1,0,1,0,0|1,0,0]=3 1014 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0096882 [0,1,0,1,0,0|1,0,0]=3 1015 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-0049680 [0,1,0,1,0,0|0,0,0]=2 1016 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|0,0,0]=2 1017 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|0,0,0]=2 1019 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|0,0,0]=2 1020 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|0,0,1]=3 1021 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,1]=4 1022 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,1]=4 1023 B8R1.3 OC1CCC(O)CC1 CS-W007850 [0,1,0,1,0,0|0,0,0]=2 1024 B8R1.3 OC1COC(O)CO1 CS-W004661 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,1,0,0|2,0,0]=4 1026 B8R1.3 O[C@H]1CC[C@@H](O)CC1 CS-0049754 [0,1,0,1,0,0|0,0,0]=2 1027 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,1,0,1,0,0|0,0,0]=2 1028 B8R1.38 CCC(N)C1CCC1 CS-0655543 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.52 C#CC1(O)CCCC1 CS-W011277 [0,1,0,1,0,0|1,0,1]=4 1030 B8R1.52 CC1(CN)OCCO1 CS-0139213 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.52 CC1(CO)CCCC1 CS-0058058 [0,1,0,1,0,0|0,0,0]=2 1032 B8R1.52 CCC1(O)CCCC1 CS-W013632 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.52 CC[N+]1(C)CCCC1 CS-0185898 [0,1,0,1,0,0|2,0,0]=4 1034 B8R1.52 CC[N+]1(C)CCCC1 CS-W015752 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.52 N#CC1(N)CCCC1 CS-0168578 [0,1,0,1,0,0|1,0,1]=4 1036 B8R1.52 N#CC1(O)CCCC1 CS-0206782 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.52 NC1(CO)CC=CC1 CS-0091347 [0,1,0,1,0,0|0,0,2]=4 1038 B8R1.52 NC1(CO)CCCC1 CS-0088069 [0,1,0,1,0,0|0,0,0]=2 1039 B8R1.52 NCC1(O)CCCC1 CS-W003998 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.52 NCC1(O)CCCC1 CS-W023215 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|1,0,1]=4 1042 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|0,0,1]=3 1043 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|0,0,2]=4 1044 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,0,1]=3 1045 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,0]=3 1046 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|1,0,1]=4 1055 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|0,0,2]=4 1056 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,1,0,1,0,0|1,0,0]=3 1060 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,1,0,1,0,0|1,0,0]=3 1061 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,1,0,1,0,0|2,0,0]=4 1062 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,1,0,1,0,0|2,0,0]=4 1063 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|1,0,1]=4 1065 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,1,0,1,0,0|1,0,0]=3 1066 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,1,0,1,0,0|1,0,0]=3 1067 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,1,0,1,0,0|1,0,0]=3 1071 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,1,0,1,0,0|1,0,0]=3 1072 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,1,0,1,0,0|2,0,0]=4 1075 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,1,0,1,0,0|2,0,0]=4 1076 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,1,0,1,0,0|0,0,0]=2 1078 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,1,0,1,0,0|0,0,0]=2 1079 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,1,0,1,0,0|0,0,0]=2 1080 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,1,0,1,0,0|0,0,0]=2 1081 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,1,0,0|1,0,1]=4 1083 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,0,2]=4 1086 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,1,0,1,0,0|2,0,0]=4 1087 B8R1.7 CC(N)C1CCCC1 CS-0052581 [0,1,0,1,0,0|1,0,0]=3 1088 B8R1.7 CC(N)C1CCOC1 CS-0263398 [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.7 CC(O)C1CCCC1 CS-0144924 [0,1,0,1,0,0|0,0,0]=2 1090 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [0,1,0,1,0,0|1,0,0]=3 1091 B8R1.7 FC(F)C1CCNC1 CS-0051691 [0,1,0,1,0,0|2,0,0]=4 1092 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,1,0,1,0,0|0,0,2]=4 1093 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [0,1,0,1,0,0|0,1,1]=4 1094 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,0,1]=3 1095 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,1,0,1,0,0|1,0,1]=4 1097 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [0,1,0,1,0,0|1,0,1]=4 1098 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [0,1,0,1,0,0|1,0,1]=4 1099 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,1,0,1,0,0|1,0,1]=4 1100 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [0,1,0,1,0,0|1,0,1]=4 1101 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,1,0,1,0,0|1,0,1]=4 1103 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [0,1,0,1,0,0|1,0,1]=4 1104 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [0,1,0,1,0,0|1,0,1]=4 1105 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [0,1,0,1,0,0|1,0,1]=4 1106 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [0,1,0,1,0,0|1,0,1]=4 1107 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [0,1,0,1,0,0|1,0,1]=4 1108 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [0,1,0,1,0,0|1,0,1]=4 1109 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [0,1,0,1,0,0|1,0,1]=4 1110 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [0,1,0,1,0,0|1,0,1]=4 1111 B8R1.7 OB(O)C1CCCC1 CS-W000955 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|0,0,2]=4 1114 B8R1.19 CC1(C)CCCC1O CS-0072492 [0,1,0,1,0,0|0,0,0]=2 1115 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [0,1,0,1,0,0|1,0,0]=3 1116 B8R1.19 FC1(F)CCCC1Br CS-0377806 [0,1,0,1,0,0|2,0,0]=4 1117 B8R1.19 NC1CCCC1(F)F CS-0108754 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.27 OCCC1CC1(F)F CS-0054495 [0,1,0,1,0,0|1,0,0]=3 1119 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,1,0,1,0,0|0,0,1]=3 1120 B8R1.34 O=C(O)CC1COC1 CS-0045509 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,1,0,1,0,0|0,0,1]=3 1122 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,1,0,1,0,0|2,0,0]=4 1123 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,1,0,1,0,0|2,0,0]=4 1124 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,1,0,1,0,0|1,0,0]=3 1125 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,1,0,1,0,0|2,0,0]=4 1126 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,1,0,1,0,0|2,0,0]=4 1128 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,1,0,1,0,0|2,0,0]=4 1129 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,1,0,1,0,0|0,0,0]=2 1130 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,1,0,1,0,0|1,0,0]=3 1132 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,1,0,1,0,0|1,0,0]=3 1134 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,1,0,1,0,0|1,0,0]=3 1135 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,1,0,1,0,0|1,0,0]=3 1136 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,1,0,1,0,0|1,0,0]=3 1137 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,1,0,1,0,0|2,0,0]=4 1141 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,1,0,0|2,0,0]=4 1143 B8R1.66 CCCC1(F)CNC1 CS-0467868 [0,1,0,1,0,0|2,0,0]=4 1144 B8R2.11 NC1C2COCC12 CS-W007149 [0,0,0,2,0,0|2,0,0]=4 1145 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 CS-0035789 [0,0,0,2,0,0|2,0,0]=4 1146 B8R2.34 C1=CC2CCC1C2 CS-W013737 [0,0,0,2,0,0|1,0,1]=4 1147 B8R2.34 C1CC2CC1CN2 CS-0067833 [0,0,0,2,0,0|1,0,0]=3 1148 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|1,0,0]=3 1149 B8R2.34 C1CN2CCC1C2 CS-0698648 [0,0,0,2,0,0|2,0,0]=4 1150 B8R2.34 C1OC2CNC1C2 CS-0044047 [0,0,0,2,0,0|1,0,0]=3 1151 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|1,0,0]=3 1152 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,0,0]=3 1153 B8R2.34 [C@H]12CN[C@H](CN1)C2 CS-W010152 [0,0,0,2,0,0|2,0,0]=4 1154 B8R2.55 C1CC2(CC2)CN1 CS-0058662 [0,0,0,2,0,0|2,0,0]=4 1155 B8R2.55 C1CNC2(C1)CC2 CS-0183849 [0,0,0,2,0,0|1,0,0]=3 1156 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|0,0,2]=4 1157 B8R2.18 OC1CC2CC2C1 CS-0035529 [0,0,0,2,0,0|0,0,0]=2 1158 B8R2.23 C1NCC2CC1O2 CS-0054897 [0,0,0,2,0,0|1,0,0]=3 1159 B8R2.23 C1OCC2CC1N2 CS-0051232 [0,0,0,2,0,0|2,0,0]=4 1160 B8R2.25 C1CC2OC2CO1 CS-0051589 [0,0,0,2,0,0|1,0,0]=3 1161 B8R2.25 C1COC2CC2N1 CS-0112792 [0,0,0,2,0,0|1,0,0]=3 1162 B8R2.42 C1CC2(C1)CNC2 CS-0052032 [0,0,0,2,0,0|2,0,0]=4 1163 B8R2.42 C1CC2(C1)CNC2 CS-0112364 [0,0,0,2,0,0|2,0,0]=4 1164 B8R2.42 C1CC2(CNC2)O1 CS-0183415 [0,0,0,2,0,0|1,0,0]=3 1165 B8R2.42 C1CC2(COC2)N1 CS-W018669 [0,0,0,2,0,0|2,0,0]=4