0 B5R0.2 BrCCCCBr D77910 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrC\C=C\CBr D72529 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 BrC\C=C\CBr F16803 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C#CCCCC 75209 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCCCCl 76259 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C#CCCCO 32105 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.2 C=CCCCBr 78391 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C=CCCCCl O11411 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 C=CCCCN 68255 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 C=CCCCN 86153 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 C=CCCCO 76184 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 C=CCSSC D88486 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 C=COCCO D78209 [0,0,0,0,0,0|0,1,2]=3 13 B5R0.2 CCC#CCO F19221 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.2 CCCCNN F17594 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 CCCCON H11431 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 CCCNCC F21346 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.2 CCNCCN AB11316 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 CCNCCO 20098 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.2 CCOCCCl 29431 [0,0,0,0,0,0|1,1,0]=2 20 B5R0.2 CCSCCCl D89330 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.2 CCSSCC D89662 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 CC\C=C\C#N D92033 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 CC\C=C\C=O 11553 [0,0,0,0,0,0|1,0,3]=4 24 B5R0.2 CNCCC#N 75878 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 CNCCCCl F16501 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.2 CNCCCN 37144 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 CNCCCO 36133 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 CNCCNC 39416 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.2 CNCCOC D70346 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.2 CNCCSC AC2521 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.2 COCCC#N D71223 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 COCCCBr F11235 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.2 COCCCCl H11766 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.2 COCCCN D81053 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.2 COCCNN 72234 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.2 COCCOC D81126 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.2 COCCOC D83907 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.2 COCCOC F16635 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.2 COCCON D82747 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.2 CSCCCO 79218 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 CSCCC[NH3+] D91382 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.2 C\C=C/CCC D90857 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.2 ClCC#CCCl H11321 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.2 ClCCCCBr F11271 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.2 ClCCCCI A10998 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.2 ClCCOCCl 29087 [0,0,0,0,0,0|2,1,0]=3 47 B5R0.2 FCCCCBr D87758 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.2 ICCCCI AC1274 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.2 N#CCCCBr 35256 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.2 N#CCCCCl 20443 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.2 NCCCCBr 24475 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.2 NCCCCN F17678 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.2 NCCCCN N11902 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.2 NCCCCO 51530 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.2 NC\C=C/CCl C11378 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.2 O=C=NCCCl D91119 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.2 OCCCCBr 54526 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.2 OCCCCCl F11085 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.2 OCCCCI D81265 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.2 OCCNCO D91013 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.2 OC\C=C/CO D70059 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.2 OC\C=C\CO 70835 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.2 [N-]=[N+]=NCCO A12080 [0,0,0,0,0,0|3,0,0]=3 64 B4R0.2 C#CCCBr F11435 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.2 C#CCCO 24606 [1,0,0,0,0,0|0,0,2]=3 66 B4R0.2 C#CCNC 76738 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 C#CCOC AT19953 [1,0,0,0,0,0|1,1,1]=4 68 B4R0.2 C=CCCBr D78125 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 C=CCCC FD10489 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 C=CCCCl 43989 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.2 C=CCCN 68196 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.2 C=CCCO P16638 [1,0,0,0,0,0|0,0,2]=3 73 B4R0.2 C=CCNC F21270 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C=CCOC D88491 [1,0,0,0,0,0|1,1,1]=4 75 B4R0.2 C=CCSC D88380 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 C=COCC P19610 [1,0,0,0,0,0|0,1,2]=4 77 B4R0.2 CC#CCBr 75180 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 CC#CCO 75486 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.2 CCCNC A10770 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 CCCNN C10870 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 CCN=C=S D94745 [1,0,0,0,0,0|1,1,1]=4 82 B4R0.2 CCNC=O F19558 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 CCNCC D78025 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.2 CCNCC D89842 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.2 CCNCC D90318 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.2 CCNOC D80678 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.2 CCOCCl D89215 [1,0,0,0,0,0|1,1,0]=3 88 B4R0.2 CNCC#N 36732 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 CNCCBr F13405 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.2 CNCCCl 71064 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.2 CNCCN D76853 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.2 CNCCN SC1801 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 COCC#N 35354 [1,0,0,0,0,0|1,1,1]=4 94 B4R0.2 COCCBr P19803 [1,0,0,0,0,0|1,1,0]=3 95 B4R0.2 COCCN F14847 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.2 CSCC#N D91408 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.2 CSCCBr 79497 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.2 CSCCO 28828 [1,0,0,0,0,0|0,0,0]=1 99 B4R0.2 CSCSC D88765 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 CSSSC D90187 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 C\C=C/CC D91891 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.2 C\C=C\OC 28751 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 ClCCCI AC1314 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 FCCCI S11237 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 ICCCI A10836 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 N#CCCBr 13138 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 N#CCCN D77355 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 N#CCCO D77638 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.2 N#CCCS A10937 [1,0,0,0,0,0|1,1,1]=4 110 B4R0.2 NCCCBr AC7868 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.2 NCCCCl D70608 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 NCCCO D77871 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.2 NCCON SC1781 [1,0,0,0,0,0|2,1,0]=4 114 B4R0.2 NNCCO D77684 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.2 NOCCO 32348 [1,0,0,0,0,0|1,1,0]=3 116 B4R0.2 OCCCBr 36754 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.2 OCCCF 61100 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.2 OCCCI 75858 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.2 SCCCS F20376 [1,0,0,0,0,0|1,1,0]=3 120 B6R0.1 C=C[C@@H](O)CCC D90922 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CCC(=O)CC#N 28991 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 CCCC(=O)CC D90801 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.1 CCCC(=O)SC D91533 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.1 CCC[C@H](C)CCl D89415 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 CCC[C@H](N)CO A10468 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.1 CCC[C@H](O)CO 73676 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.1 CCOC(=N)CC W15737 [0,1,0,0,0,0|1,1,1]=4 129 B6R0.1 CCOC(=O)CN C93496 [0,1,0,0,0,0|1,1,1]=4 130 B6R0.1 CCOC(=O)CO 39380 [0,1,0,0,0,0|0,1,1]=3 131 B6R0.1 CCOC(=O)CS F21271 [0,1,0,0,0,0|0,2,1]=4 132 B6R0.1 CCO[C@@H](C)CC D88933 [0,1,0,0,0,0|1,1,0]=3 133 B6R0.1 CCO\C(C)=N\O 23036 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.1 CCO\C(C)=N\O H10740 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.1 CN(C=O)CCO AC2477 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.1 CNC[C@H](O)CO CL4501 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.1 COC(=O)CCBr AB7483 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.1 COC(=O)CCCl D95821 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.1 COC(=O)CCN S12362 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.1 COC(=O)CCO 29940 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.1 COC(=O)CCS D70327 [0,1,0,0,0,0|2,1,0]=4 142 B6R0.1 COC[C@@H](O)CO H10736 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.1 COC[C@H](O)CCl D84795 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.1 CO[C@@H](C)CCO D77758 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.1 C[C@H](CO)CCN 78036 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.1 C[C@H](CO)CCO 63982 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.1 C[C@H](CO)CCO 70021 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 O=C(CCl)NCO O10755 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.1 OCC[C@H](O)CCl D94503 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.1 OCC[C@H](O)CO 56159 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 OCC[C@H](O)CO 56160 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.1 OCC[C@H](O)CO AC2226 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.1 O[C@H](CBr)CCBr F14612 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.4 C=C(C)CNCC D95542 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 CC(=O)CCCCl D77754 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 CC(=O)CCCO 24602 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.4 CC(=O)NCCN D70867 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 CC(=O)NCCO FD10637 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.4 CC(=O)NCCS AT13754 [0,1,0,0,0,0|1,1,1]=4 160 B6R0.4 CC(=O)OCCBr C10198 [0,1,0,0,0,0|1,1,1]=4 161 B6R0.4 CC(=O)OCCCl D88201 [0,1,0,0,0,0|1,1,1]=4 162 B6R0.4 CC(=O)OCCO D88371 [0,1,0,0,0,0|0,1,1]=3 163 B6R0.4 CC(C)=CCCBr F19983 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.4 CC(C)CCCBr O10389 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.4 CC(C)CCCO F20439 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 CC(C)NCCCl 20398 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.4 CC(C)NCCO D78491 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.4 CCC#CC(=O)O D84135 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.4 CCCCB(O)O 33151 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.4 CCCCC(=N)N 31933 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.4 CCCCC(=N)N W16181 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.4 CCCCC(=O)[O-] F16484 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.4 CCCCC(N)=O A10835 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.4 CCCNC(C)=O D97464 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 CCCSC(C)=O D92148 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.4 CCOCC(C)C D93520 [0,1,0,0,0,0|1,1,0]=3 177 B6R0.4 CCSCC(=O)O D95699 [0,1,0,0,0,0|0,0,1]=2 178 B6R0.4 CC\C=C\C(=O)O D72497 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.4 CC\C=C\C(=O)O P17755 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.4 CN(C)CCCBr 25428 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.4 CN(C)CCCCl 23626 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.4 CN(C)CCCCl AC7814 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.4 CN(C)CCCS D93440 [0,1,0,0,0,0|2,1,0]=4 184 B6R0.4 CNCCC(=O)O 29150 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.4 CNCCC(=O)O C76064 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.4 COCCC(=O)O F14687 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.4 CSCCC(=O)O D87669 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.4 C[C@H](Br)CCCBr F14613 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 C[C@H](O)CCCO 22874 [0,1,0,0,0,0|1,0,0]=2 190 B6R0.4 C\C=C\CC(=O)O D92067 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.4 N=C(N)SCCN D88373 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.4 NC(=O)NCCO C10765 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 NCCCC(=O)O D70585 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.4 O=C(O)CCCBr 20498 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.4 O=C(O)CCCCl F19286 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.4 O=C(O)CCCS F20547 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.6 BrCCCCCBr D70772 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.6 BrCCOCCBr 12226 [0,1,0,0,0,0|1,1,0]=3 199 B6R0.6 C#CCCCCO F10490 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.6 C#CCOCCN C70245 [0,1,0,0,0,0|1,1,1]=4 201 B6R0.6 C#CCOCCO F16468 [0,1,0,0,0,0|0,1,1]=3 202 B6R0.6 C=CCCCCBr F14895 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.6 C=CCCCCCl N11935 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.6 C=CCCCCO 35574 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.6 CCC#CCCO F11743 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.6 CCCC#CCO D90881 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.6 CCCCCCI F20355 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 CCCCCCN F19564 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.6 CCCCCNC D91584 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.6 CCCCN=C=S D91107 [0,1,0,0,0,0|1,1,1]=4 211 B6R0.6 CCCNCCC D89745 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.6 CCCNCCO C10761 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.6 CCCOCCCl H10822 [0,1,0,0,0,0|1,1,0]=3 214 B6R0.6 CCC\C=C\CO D78301 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.6 CCNCCCN D82016 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.6 CCNCCCO 31655 [0,1,0,0,0,0|1,0,0]=2 217 B6R0.6 CCNCCOC H11999 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.6 CCOCCCCl D95770 [0,1,0,0,0,0|1,1,0]=3 219 B6R0.6 CCOCCCO D95933 [0,1,0,0,0,0|0,1,0]=2 220 B6R0.6 CC\C=C/CCO 73722 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.6 CNCCCCO F10210 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.6 COCCCCBr F13727 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.6 COCCCCCl 28715 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.6 COCCCCO D78159 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.6 COCCN=[N+]=[N-] AC8733 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.6 COCCOCCl H11303 [0,1,0,0,0,0|1,1,0]=3 227 B6R0.6 COCOCOC 75328 [0,1,0,0,0,0|2,1,0]=4 228 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.6 C\C=C\C=C\CO D77844 [0,1,0,0,0,0|1,0,2]=4 230 B6R0.6 ClCCCCCBr S10881 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.6 ClCCCCCI A10955 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.6 ClCCNCCCl 97536 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.6 FCCCCCBr 24471 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.6 ICCCCCI P10001 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.6 ICCOCCI C90294 [0,1,0,0,0,0|1,1,0]=3 236 B6R0.6 N#CCCCCCl 28437 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.6 N#CCCCCN S10714 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.6 N#CCOCCCl 72645 [0,1,0,0,0,0|1,1,1]=4 239 B6R0.6 NCCCCCN D83408 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.6 NCCCCCO I11482 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.6 NCCNCCO D77720 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.6 NCCOCCN 75244 [0,1,0,0,0,0|1,1,0]=3 243 B6R0.6 NCCOCCN 75301 [0,1,0,0,0,0|1,1,0]=3 244 B6R0.6 NCCOCCO C70233 [0,1,0,0,0,0|0,1,0]=2 245 B6R0.6 NCCSCCN FD10524 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.6 O=CCCCCCl C10094 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.6 O=CCCCCO F19841 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.6 OCCCCCBr 23140 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.6 OCCCCCCl O11412 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.6 OCCNCCCl F50591 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.6 OCCNCCO D92250 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.6 OCCOCCBr S10705 [0,1,0,0,0,0|0,1,0]=2 253 B6R0.6 OCCOCCCl D72518 [0,1,0,0,0,0|0,1,0]=2 254 B6R0.6 SCCCCCS D92137 [0,1,0,0,0,0|1,1,0]=3 255 B6R0.6 SCCSCCS D91485 [0,1,0,0,0,0|0,1,0]=2 256 B6R1.1 C1=CCNCC1 37471 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.1 C1=CCNCC1 AB7774 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.1 C1=CCOCC1 37905 [0,0,0,1,0,0|1,0,1]=3 259 B6R1.1 C1=COCCC1 D78128 [0,0,0,1,0,0|1,0,2]=4 260 B6R1.1 C1CCNCC1 D77674 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.1 C1CCNNC1 AB2862 [0,0,0,1,0,0|3,0,0]=4 262 B6R1.1 C1CCONC1 72394 [0,0,0,1,0,0|2,0,0]=3 263 B6R1.1 C1CCSCC1 D78391 [0,0,0,1,0,0|1,0,0]=2 264 B6R1.1 C1CNCCN1 D97840 [0,0,0,1,0,0|2,0,0]=3 265 B6R1.1 C1COCCN1 D70343 [0,0,0,1,0,0|1,0,0]=2 266 B6R1.1 C1COCCN1 D95446 [0,0,0,1,0,0|1,0,0]=2 267 B6R1.1 C1COCCN1 F14226 [0,0,0,1,0,0|1,0,0]=2 268 B6R1.1 C1CSCCN1 P10015 [0,0,0,1,0,0|1,0,0]=2 269 B6R1.1 C1CSCCO1 D87969 [0,0,0,1,0,0|0,0,0]=1 270 B6R1.1 C1CSCSC1 S10678 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.1 C1SCSCS1 D92358 [0,0,0,1,0,0|3,0,0]=4 272 B6R1.2 Br[C@H]1CCNC1 23535 [0,0,0,1,0,0|2,0,0]=3 273 B6R1.2 Br[C@H]1CCOC1 25079 [0,0,0,1,0,0|1,1,0]=3 274 B6R1.2 CC1=NCCC1 35340 [0,0,0,1,0,0|2,0,1]=4 275 B6R1.2 CC1=NCCN1 S11926 [0,0,0,1,0,0|2,0,1]=4 276 B6R1.2 CC1=NCCO1 F16112 [0,0,0,1,0,0|1,0,1]=3 277 B6R1.2 CC1=NCCS1 D91305 [0,0,0,1,0,0|1,0,1]=3 278 B6R1.2 CN1CCCC1 D78045 [0,0,0,1,0,0|3,0,0]=4 279 B6R1.2 C[C@H]1CCCN1 11755 [0,0,0,1,0,0|2,0,0]=3 280 B6R1.2 C[C@H]1CCCN1 23331 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.2 C[C@H]1CCCN1 64834 [0,0,0,1,0,0|2,0,0]=3 282 B6R1.2 C[C@H]1CCCN1 64835 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.2 C[C@H]1CCCN1 64836 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.2 C[C@H]1CCCS1 TD8134 [0,0,0,1,0,0|1,0,0]=2 285 B6R1.2 C[C@H]1CCNC1 69325 [0,0,0,1,0,0|2,0,0]=3 286 B6R1.2 C[C@H]1CCNC1 69329 [0,0,0,1,0,0|2,0,0]=3 287 B6R1.2 C[C@H]1CCOC1 F16704 [0,0,0,1,0,0|1,1,0]=3 288 B6R1.2 C[S+]1CCCC1 AC8164 [0,0,0,1,0,0|3,0,0]=4 289 B6R1.2 ClP1OCCO1 D89371 [0,0,0,1,0,0|2,1,0]=4 290 B6R1.2 F[C@H]1CCNC1 26948 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.2 F[C@H]1CCNC1 37160 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.2 F[C@H]1CCNC1 83419 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.2 IC1CCCC1 P10039 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.2 I[C@H]1CCOC1 82009 [0,0,0,1,0,0|1,1,0]=3 295 B6R1.2 N=C1CCCS1 H10471 [0,0,0,1,0,0|2,0,1]=4 296 B6R1.2 NC1=NCCS1 H11788 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.2 NC1CC=CC1 66023 [0,0,0,1,0,0|2,0,1]=4 298 B6R1.2 NC1CCCC1 22312 [0,0,0,1,0,0|2,0,0]=3 299 B6R1.2 N[C@H]1CCNC1 41400 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.2 N[C@H]1CCNC1 52206 [0,0,0,1,0,0|2,0,0]=3 301 B6R1.2 N[C@H]1CCNC1 70366 [0,0,0,1,0,0|2,0,0]=3 302 B6R1.2 N[C@H]1CCNC1 N12040 [0,0,0,1,0,0|2,0,0]=3 303 B6R1.2 N[C@H]1CCNC1 S10941 [0,0,0,1,0,0|2,0,0]=3 304 B6R1.2 N[C@H]1CCNC1 T70189 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.2 N[C@H]1CCOC1 24756 [0,0,0,1,0,0|1,1,0]=3 306 B6R1.2 N[C@H]1CCOC1 29281 [0,0,0,1,0,0|1,1,0]=3 307 B6R1.2 N[C@H]1CCOC1 37020 [0,0,0,1,0,0|1,1,0]=3 308 B6R1.2 N[C@H]1CCOC1 37021 [0,0,0,1,0,0|1,1,0]=3 309 B6R1.2 N[C@H]1CCOC1 53315 [0,0,0,1,0,0|1,1,0]=3 310 B6R1.2 N[C@H]1CCOC1 SC1299 [0,0,0,1,0,0|1,1,0]=3 311 B6R1.2 O=C1CCNC1 65410 [0,0,0,1,0,0|1,0,2]=4 312 B6R1.2 O=C1CCOC1 28102 [0,0,0,1,0,0|0,1,2]=4 313 B6R1.2 O=C1CCSC1 37995 [0,0,0,1,0,0|0,0,2]=3 314 B6R1.2 O=C1NCCO1 C93484 [0,0,0,1,0,0|2,0,1]=4 315 B6R1.2 O=C1NCCS1 35133 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.2 O=C1OCCO1 D72525 [0,0,0,1,0,0|1,1,1]=4 317 B6R1.2 O=S1CCCC1 D92307 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.2 O=S1OCCO1 AC7916 [0,0,0,1,0,0|2,1,0]=4 319 B6R1.2 OC1=NNCC1 I10060 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 OC1CC=CC1 68362 [0,0,0,1,0,0|1,0,1]=3 321 B6R1.2 O[C@@H]1CCCO1 31275 [0,0,0,1,0,0|2,0,0]=3 322 B6R1.2 O[C@H]1CCNC1 29173 [0,0,0,1,0,0|1,0,0]=2 323 B6R1.2 O[C@H]1CCNC1 29174 [0,0,0,1,0,0|1,0,0]=2 324 B6R1.2 O[C@H]1CCNC1 29175 [0,0,0,1,0,0|1,0,0]=2 325 B6R1.2 O[C@H]1CCNC1 38203 [0,0,0,1,0,0|1,0,0]=2 326 B6R1.2 O[C@H]1CCNC1 62968 [0,0,0,1,0,0|1,0,0]=2 327 B6R1.2 O[C@H]1CCNC1 62970 [0,0,0,1,0,0|1,0,0]=2 328 B6R1.2 O[C@H]1CCOC1 37369 [0,0,0,1,0,0|0,1,0]=2 329 B6R1.2 O[C@H]1CCOC1 66692 [0,0,0,1,0,0|0,1,0]=2 330 B6R1.2 O[C@H]1CCOC1 66694 [0,0,0,1,0,0|0,1,0]=2 331 B6R1.2 O[C@H]1CCSC1 W10543 [0,0,0,1,0,0|0,0,0]=1 332 B6R1.2 O[C@H]1CNOC1 31853 [0,0,0,1,0,0|1,1,0]=3 333 B6R1.2 S=C1NCCO1 79469 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 S=C1SCCS1 D90483 [0,0,0,1,0,0|1,1,1]=4 335 B6R1.2 SC1CCCC1 D89300 [0,0,0,1,0,0|1,1,0]=3 336 B6R1.3 BrCC[C@H]1CO1 30763 [0,0,0,1,0,0|2,0,0]=3 337 B6R1.3 CCNC1CC1 AC2514 [0,0,0,1,0,0|2,0,0]=3 338 B6R1.3 CCNC1CC1 F20037 [0,0,0,1,0,0|2,0,0]=3 339 B6R1.3 CNCC1CC1 71893 [0,0,0,1,0,0|3,0,0]=4 340 B6R1.3 COC[C@H]1CO1 D90741 [0,0,0,1,0,0|2,0,0]=3 341 B6R1.3 COC[C@H]1CO1 D90742 [0,0,0,1,0,0|2,0,0]=3 342 B6R1.3 COC[C@H]1CO1 F11173 [0,0,0,1,0,0|2,0,0]=3 343 B6R1.3 N#CCC1CC1 35740 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.3 NCCC1CC1 38310 [0,0,0,1,0,0|2,0,0]=3 345 B6R1.3 NCCC1CC1 AB6939 [0,0,0,1,0,0|2,0,0]=3 346 B6R1.3 NNCC1CC1 BL010401 [0,0,0,1,0,0|3,0,0]=4 347 B6R1.3 OCCC1CC1 35626 [0,0,0,1,0,0|1,0,0]=2 348 B6R1.3 OCCN1CC1 52820 [0,0,0,1,0,0|1,0,0]=2 349 B6R1.6 BrCC1CCC1 55311 [0,0,0,1,0,0|2,0,0]=3 350 B6R1.6 BrCC1COC1 P12750 [0,0,0,1,0,0|3,0,0]=4 351 B6R1.6 ClCC1COC1 29833 [0,0,0,1,0,0|3,0,0]=4 352 B6R1.6 ICC1CCC1 P15852 [0,0,0,1,0,0|2,0,0]=3 353 B6R1.6 ICC1COC1 80847 [0,0,0,1,0,0|3,0,0]=4 354 B6R1.6 IC[C@H]1CCO1 30641 [0,0,0,1,0,0|1,1,0]=3 355 B6R1.6 N#CC1CCC1 82484 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.6 NCC1CCC1 33345 [0,0,0,1,0,0|2,0,0]=3 357 B6R1.6 NCC1CCC1 35685 [0,0,0,1,0,0|2,0,0]=3 358 B6R1.6 NCC1COC1 66389 [0,0,0,1,0,0|3,0,0]=4 359 B6R1.6 NCC1COC1 F14274 [0,0,0,1,0,0|3,0,0]=4 360 B6R1.6 NC[C@H]1CCO1 32892 [0,0,0,1,0,0|1,1,0]=3 361 B6R1.6 O=CC1CCC1 83143 [0,0,0,1,0,0|1,0,2]=4 362 B6R1.6 OCC1CCC1 24520 [0,0,0,1,0,0|1,0,0]=2 363 B6R1.6 OCC1CNC1 SC3671 [0,0,0,1,0,0|2,0,0]=3 364 B6R1.6 OCC1COC1 81312 [0,0,0,1,0,0|2,0,0]=3 365 B3R0.1 C=CCC F17161 [2,0,0,0,0,0|0,0,2]=4 366 B3R0.1 CCCN D74104 [2,0,0,0,0,0|1,0,0]=3 367 B3R0.1 CCCN D80322 [2,0,0,0,0,0|1,0,0]=3 368 B3R0.1 CCNC 28743 [2,0,0,0,0,0|1,0,0]=3 369 B3R0.1 CCNC D78313 [2,0,0,0,0,0|1,0,0]=3 370 B3R0.1 CCNN D93746 [2,0,0,0,0,0|2,0,0]=4 371 B3R0.1 CCNO 77594 [2,0,0,0,0,0|1,0,0]=3 372 B3R0.1 CCON 35725 [2,0,0,0,0,0|1,1,0]=4 373 B3R0.1 CCSC D90442 [2,0,0,0,0,0|0,0,0]=2 374 B3R0.1 CNNC F14608 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.1 CNOC 60204 [2,0,0,0,0,0|1,1,0]=4 376 B3R0.1 COCBr D78328 [2,0,0,0,0,0|1,1,0]=4 377 B3R0.1 CSCCl F20413 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|1,0,1]=4 379 B3R0.1 ClCCBr D95298 [2,0,0,0,0,0|2,0,0]=4 380 B3R0.1 FCCI 29129 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.1 ICCI D70963 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 NCCBr 12331 [2,0,0,0,0,0|2,0,0]=4 383 B3R0.1 NCCCl D70641 [2,0,0,0,0,0|2,0,0]=4 384 B3R0.1 NCCF 22877 [2,0,0,0,0,0|2,0,0]=4 385 B3R0.1 NCCN T72638 [2,0,0,0,0,0|2,0,0]=4 386 B3R0.1 NCCO F17546 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.1 NCCO P20022 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.1 NCCS D70222 [2,0,0,0,0,0|1,0,0]=3 389 B3R0.1 NCCS D88299 [2,0,0,0,0,0|1,0,0]=3 390 B3R0.1 SCCS D78347 [2,0,0,0,0,0|0,1,0]=3 391 B5R0.1 C=C(C)CCBr 80247 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.1 C=C(C)OCC 78535 [1,1,0,0,0,0|0,1,1]=4 393 B5R0.1 C=CC[C@H](C)O D92157 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.1 CC(=O)CCCl F20480 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.1 CC(=O)CCO 55787 [1,1,0,0,0,0|0,0,1]=3 396 B5R0.1 CC(=O)NCO FD10622 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.1 CC(C)=CCO F20316 [1,1,0,0,0,0|0,0,2]=4 398 B5R0.1 CC(C)CC#N 30285 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.1 CC(C)CNN 86152 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.1 CC(C)CON H10571 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.1 CC=C[C@H](C)O D84201 [1,1,0,0,0,0|0,0,2]=4 402 B5R0.1 CCCB(O)O 33060 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.1 CCCC(=N)N W10324 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.1 CCCC(=O)[O-] D84277 [1,1,0,0,0,0|0,0,2]=4 405 B5R0.1 CCCC(N)=O D70204 [1,1,0,0,0,0|0,0,2]=4 406 B5R0.1 CCC[C@H](C)N 28967 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.1 CCC[C@H](C)O RB3003 [1,1,0,0,0,0|0,0,0]=2 408 B5R0.1 CCC[C@H](C)O T72186 [1,1,0,0,0,0|0,0,0]=2 409 B5R0.1 CCC[N+](=O)[O-] D97683 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.1 CCNC(C)=O AC2513 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.1 CCNC(C)C D77967 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.1 CCOC(C)=N D70134 [1,1,0,0,0,0|0,1,1]=4 413 B5R0.1 CCO[SiH](C)C I11477 [1,1,0,0,0,0|0,2,0]=4 414 B5R0.1 CCSC(=N)N D86401 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.1 CCSC(C)=O H11301 [1,1,0,0,0,0|0,0,1]=3 416 B5R0.1 CN(C)CCBr O10701 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.1 CN(C)CCCl D77997 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.1 CN(C)CCN S12293 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.1 CN(C)CCS 35911 [1,1,0,0,0,0|1,1,0]=4 420 B5R0.1 CNCC(=O)O 73735 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.1 CNCC(=O)O AC7804 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.1 COCC(=O)O D77874 [1,1,0,0,0,0|0,1,1]=4 423 B5R0.1 COC[C@H](C)O 35103 [1,1,0,0,0,0|0,1,0]=3 424 B5R0.1 COC[C@H](C)O O10158 [1,1,0,0,0,0|0,1,0]=3 425 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|0,0,1]=3 426 B5R0.1 CSCC(N)=O 23231 [1,1,0,0,0,0|0,0,2]=4 427 B5R0.1 CSC[S@](C)=O 63104 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.1 C[C@H](Br)CC#N D88813 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 C[C@H](Cl)CCCl D89632 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.1 C[C@H](N)CC#N N12426 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.1 C[C@H](N)CCO 36141 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.1 C[C@H](N)CCO 36142 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.1 C[C@H](N)CCO F11725 [1,1,0,0,0,0|0,0,0]=2 434 B5R0.1 C[C@H](O)CCO 55765 [1,1,0,0,0,0|0,0,0]=2 435 B5R0.1 C[C@H](O)CCO O10183 [1,1,0,0,0,0|0,0,0]=2 436 B5R0.1 C[C@H](O)CNN 71999 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.1 C[NH2+]CC(C)C D91375 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.1 O=C(O)CCBr P17146 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.1 O=C(O)CCF 71324 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.1 O=C(O)CCI D91073 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.1 O=C(O)CCO 77998 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 O=[N+]([O-])CCO AC1643 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.3 C#C[C@@H](O)CC 75224 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.3 C=C(CO)CO 35347 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.3 C=C[C@@H](O)CC F15421 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.3 C=C[C@@H](O)CO D79949 [1,1,0,0,0,0|0,0,2]=4 448 B5R0.3 CC(CBr)CBr 90917 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.3 CC(CN)CN T72131 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.3 CC(CO)CO D71170 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.3 CCC(=N)NO 22901 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.3 CCC(=O)CBr F10475 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.3 CCC(=O)CO C75383 [1,1,0,0,0,0|0,0,1]=3 454 B5R0.3 CCC(=O)NC D91338 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.3 CCC(Br)CC H11324 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.3 CCC(N)CC S12161 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.3 CCN(C)CC D97580 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.3 CCS(=O)CC D81870 [1,1,0,0,0,0|0,0,1]=3 459 B5R0.3 CC[C@H](Br)CBr D89608 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.3 CC[C@H](C)CBr A10884 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.3 CC[C@H](C)CCl D89411 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.3 CC[C@H](C)CI D80608 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.3 CC[C@H](C)CN F16114 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.3 CC[C@H](C)CO 88664 [1,1,0,0,0,0|0,0,0]=2 465 B5R0.3 CC[C@H](C)CS D91431 [1,1,0,0,0,0|0,1,0]=3 466 B5R0.3 CC[C@H](C)NC D95752 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.3 CC[C@H](C)NN 72197 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.3 CC[C@H](N)CO 23160 [1,1,0,0,0,0|0,0,0]=2 469 B5R0.3 CC[C@H](N)CO D87517 [1,1,0,0,0,0|0,0,0]=2 470 B5R0.3 CC[C@H](N)CO F14569 [1,1,0,0,0,0|0,0,0]=2 471 B5R0.3 CC[C@H](O)CN D97409 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.3 CC[C@H](O)CO C10640 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.3 CC[C@H](O)CO O10222 [1,1,0,0,0,0|0,0,0]=2 474 B5R0.3 COC(=O)CO 39413 [1,1,0,0,0,0|0,1,1]=4 475 B5R0.3 CO[C@@H](C)CN 91004 [1,1,0,0,0,0|1,1,0]=4 476 B5R0.3 CO[C@@H](C)CO 29137 [1,1,0,0,0,0|0,1,0]=3 477 B5R0.3 CO[C@@H](C)CO 35966 [1,1,0,0,0,0|0,1,0]=3 478 B5R0.3 CS\C(C)=N\O A11022 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.3 C[C@@H](CN)CO 78445 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.3 C[C@@H](CN)CO AB10326 [1,1,0,0,0,0|1,0,0]=3 481 B5R0.3 ClCC(Cl)CCl D97722 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.3 NC(CO)CO F10927 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.3 NCC(O)CN O10345 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.3 NC[C@H](O)CCl 91258 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.3 NC[C@H](O)CCl F14970 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.3 NC[C@H](O)CO 52095 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.3 NC[C@H](O)CO CL4509 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.3 NC[C@H](O)CO H10491 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.3 O=C(CO)CO S12381 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.3 OC(CBr)CBr 90914 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.3 OCC(O)CO C13300 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.3 OCC(O)CO D92249 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.3 OC[C@H](Cl)CCl D89647 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.3 OC[C@H](O)CBr D84178 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.3 OC[C@H](O)CCl 28070 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.3 OC[C@H](O)CCl 28077 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.3 OC[C@H](O)CS D92320 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.3 OC[C@H](S)CS D89691 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.3 O[C@@H](CCl)CI D79037 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.3 O[C@@H](CCl)CI D79038 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.2 CC(C)C[C@H](N)CO 34445 [0,2,0,0,0,0|1,0,0]=3 502 B7R0.2 CC(C)C[C@H](N)CO 39403 [0,2,0,0,0,0|1,0,0]=3 503 B7R0.2 CC(C)C[C@H](N)CO A10467 [0,2,0,0,0,0|1,0,0]=3 504 B7R0.2 CC(C)OC(=O)CO 77517 [0,2,0,0,0,0|0,1,1]=4 505 B7R0.2 CCC(=O)CC(C)C D90471 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.2 CCC(C)CC(C)N 40016 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.2 CCC(C)CC(C)N D88161 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.2 CCN(C)CC(=O)O D97398 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.2 CN(C)C[C@H](O)CO O10883 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.3 C#C[C@@H](O)CCCC D90876 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.3 CCCCC(=O)CC D90783 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.3 CCCC[C@H](N)CO A11352 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.3 CCCC[C@H](N)CO N12322 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.3 CCCC[C@H](O)CO F11270 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.3 CCOC[C@@H](O)CO H11846 [0,2,0,0,0,0|0,1,0]=3 526 B7R0.3 CSCC[C@H](N)CO T72236 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.3 OCCC[C@H](O)CO T71793 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.5 CC(C)[C@@H](N)CCO 29776 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.5 CCCC(=O)C(C)C D91358 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.5 CCC[C@H](C)C(=O)O D78086 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.5 CCC[C@H](N)C(=O)O 27282 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.5 CCC[C@H](N)C(=O)O 73286 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.5 CCC[C@H](N)C(=O)O D70899 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,2,0,0,0,0|0,1,1]=4 535 B7R0.5 CCO[C@H](O)C(F)F F30106 [0,2,0,0,0,0|1,1,0]=4 536 B7R0.7 C=CCN(C)CCO D83705 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.7 CCCC(N)CCC 28065 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.7 CCCC(O)CCC H10221 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.7 CCCN(C)CCC D95729 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.7 CCC[C@H](C)CCO T71716 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.7 CCC[C@H](S)CCO D84193 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.7 CCOC(=O)CCBr F11254 [0,2,0,0,0,0|1,1,0]=4 543 B7R0.7 CCOC(=O)CCCl D89381 [0,2,0,0,0,0|1,1,0]=4 544 B7R0.7 CCOC(=O)CCI 23721 [0,2,0,0,0,0|1,1,0]=4 545 B7R0.7 CCOC(=O)CCN AC7506 [0,2,0,0,0,0|1,1,0]=4 546 B7R0.7 CCOC(=O)CCO 30936 [0,2,0,0,0,0|0,1,0]=3 547 B7R0.7 CCOC(=O)CCS D87716 [0,2,0,0,0,0|0,2,0]=4 548 B7R0.7 CCOC(=O)COC F11239 [0,2,0,0,0,0|0,1,1]=4 549 B7R0.7 CN(CCCl)CCCl F11444 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.7 CN(CCN)CCN E10179 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.7 COCC(N)COC 25069 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.7 COCC(O)COC 20633 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.7 O=C(CCCl)CCCl 35039 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.10 CCC(S)C(C)CO A10541 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.10 COC(=O)[C@@H](C)CO F12962 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.10 COC(=O)[C@@H](F)CO 36756 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.10 COC(=O)[C@@H](N)CO 20054 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.10 COC(=O)[C@@H](N)CO 20056 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.10 COC(=O)[C@@H](N)CO 39397 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.11 CC(C)(CO)CCO W19543 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.11 CCS(=O)(=O)CCCl 71330 [0,2,0,0,0,0|1,0,1]=4 570 B7R0.12 CCN(CC)CCBr 30292 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.12 CCN(CC)CCS D89920 [0,2,0,0,0,0|1,1,0]=4 572 B7R0.4 C#CCOC[C@H](C)O D78242 [0,2,0,0,0,0|0,1,1]=4 573 B7R0.4 CC(=O)CCCCCl D89394 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.4 CC(=O)SCCCO D86667 [0,2,0,0,0,0|0,0,1]=3 575 B7R0.4 CC(C)CCCCO D94723 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.4 CC(C)NCCCO H11834 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.4 CCCCCB(O)O 33673 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.4 CCCCCC(=O)[O-] D82015 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.4 CCCCCC(N)=O D89187 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.4 CCCCC[C@H](C)N D90921 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.4 CCCCC[C@H](C)O D83253 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.4 CCCCOC(C)C D93400 [0,2,0,0,0,0|1,1,0]=4 583 B7R0.4 CCCCSC(C)=O 79049 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.4 CC\C=C\CC(=O)O D82088 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.4 CN(C)CCCCN 76925 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.4 CNCCCC(=O)O 20515 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.4 CNCCCC(=O)O AB7427 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.4 C[C@H](O)CNCCN D90833 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.4 C[C@H](O)CNCCO C13406 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.4 NCCCCC(=O)O 76219 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.4 NCCCCC(=O)O D78140 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.4 NCCOCC(=O)O AT23391 [0,2,0,0,0,0|0,1,1]=4 593 B7R0.4 O=C(O)CCCCBr 76255 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.4 O=C(O)CCCCCl C10667 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.4 O=C(O)CNCCO AB10154 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.4 O=C(O)COCCCl 29961 [0,2,0,0,0,0|0,1,1]=4 597 B7R0.4 O=C([O-])CCCCO F13839 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.6 CC(=O)SCC(=O)O H12044 [0,2,0,0,0,0|0,0,2]=4 599 B7R0.6 CC(C)CCB(O)O D70604 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.6 CC(C)CCC(=O)O 28835 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.6 CC(C)CC[C@H](C)O D91520 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.6 CC(C)SSC(C)C D78351 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.6 CC(O)C#CC(C)O F17144 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.6 CC(O)CCC(C)O F17534 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.8 CC(C)(C)NCCN W18588 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.8 CC(C)(C)OCCO AT13966 [0,2,0,0,0,0|0,1,0]=3 608 B7R0.8 CCCCC(C)(C)O D91354 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.8 CCCOC(C)(C)C S11895 [0,2,0,0,0,0|1,1,0]=4 610 B7R0.8 CS(=O)(=O)CCCO 29519 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.8 OCCCC(F)(F)F 66887 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.1 BrCCCCCCBr D77996 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.1 C#CCCCCCO 35608 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.1 C#CCOCCOC W13675 [0,2,0,0,0,0|0,1,1]=4 615 B7R0.1 C=CCCCCCBr 34943 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.1 C=CCCCCNC C75624 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.1 C=CCOCCCC D88441 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.1 CCCCCCCBr D78084 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.1 CCCCCCCI D70828 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.1 CCCCCCCS D90781 [0,2,0,0,0,0|1,1,0]=4 621 B7R0.1 CCCCOCCCl D89363 [0,2,0,0,0,0|1,1,0]=4 622 B7R0.1 CNCCCCNC 29857 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.1 COCCOCCBr AC1298 [0,2,0,0,0,0|0,1,0]=3 624 B7R0.1 COCCOCCN F19842 [0,2,0,0,0,0|0,1,0]=3 625 B7R0.1 COCCOCCO D78002 [0,2,0,0,0,0|0,1,0]=3 626 B7R0.1 COCOCCC#N 32633 [0,2,0,0,0,0|1,1,0]=4 627 B7R0.1 ClCCCCCCBr AC1307 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.1 ClCCCCCCI O10399 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.1 ICCCCCCI D78160 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.1 N#CCCCCCBr 76351 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.1 N#CCCCCCN D92992 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.1 NCCCCCCN H11757 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.1 NCCCCCCO 74060 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.1 NCCCNCCBr 37146 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.1 NCCCNCCO 37148 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.1 NCCNCCCO H11394 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.1 NCCSSCCN 28637 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.1 NCC[Se][Se]CCN H10234 [0,2,0,0,0,0|1,1,0]=4 639 B7R0.1 OCCCCCCBr 34408 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.1 OCCCCCCCl D70146 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.1 OCCCCCCS N11988 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.1 SCCCCCCS D90840 [0,2,0,0,0,0|1,1,0]=4 643 B5R1.1 C1=CCOC1 F11214 [1,0,0,1,0,0|0,0,2]=4 644 B5R1.1 C1CCNC1 A12343 [1,0,0,1,0,0|1,0,0]=3 645 B5R1.1 C1CCNC1 D95438 [1,0,0,1,0,0|1,0,0]=3 646 B5R1.1 C1CCOC1 D97750 [1,0,0,1,0,0|0,0,0]=2 647 B5R1.1 C1CNOC1 72098 [1,0,0,1,0,0|1,0,0]=3 648 B5R1.1 C1COCO1 D89731 [1,0,0,1,0,0|0,1,0]=3 649 B5R1.1 C1CSCN1 H10192 [1,0,0,1,0,0|1,0,0]=3 650 B5R1.1 C1CSCN1 H11361 [1,0,0,1,0,0|1,0,0]=3 651 B5R1.2 BrC1CCC1 23146 [1,0,0,1,0,0|1,0,0]=3 652 B5R1.2 BrC1CNC1 70950 [1,0,0,1,0,0|2,0,0]=4 653 B5R1.2 BrC1COC1 CS1302 [1,0,0,1,0,0|1,1,0]=4 654 B5R1.2 C=C1CCC1 90960 [1,0,0,1,0,0|1,0,1]=4 655 B5R1.2 CC1CNC1 80306 [1,0,0,1,0,0|2,0,0]=4 656 B5R1.2 C[C@H]1CCN1 86769 [1,0,0,1,0,0|1,0,0]=3 657 B5R1.2 IC1COC1 66502 [1,0,0,1,0,0|1,1,0]=4 658 B5R1.2 NC1CCC1 51600 [1,0,0,1,0,0|1,0,0]=3 659 B5R1.2 NC1CCC1 F10463 [1,0,0,1,0,0|1,0,0]=3 660 B5R1.2 NC1CNC1 SC3251 [1,0,0,1,0,0|2,0,0]=4 661 B5R1.2 NC1COC1 66129 [1,0,0,1,0,0|1,1,0]=4 662 B5R1.2 NC1COC1 CS1335 [1,0,0,1,0,0|1,1,0]=4 663 B5R1.2 O=C1CCC1 24502 [1,0,0,1,0,0|0,0,2]=4 664 B5R1.2 O=C1CCO1 AT19319 [1,0,0,1,0,0|1,0,1]=4 665 B5R1.2 O=C1CSC1 BL008272 [1,0,0,1,0,0|0,0,2]=4 666 B5R1.2 OC1CCC1 59166 [1,0,0,1,0,0|0,0,0]=2 667 B5R1.2 OC1CNC1 52824 [1,0,0,1,0,0|1,0,0]=3 668 B5R1.2 OC1COC1 66387 [1,0,0,1,0,0|0,1,0]=3 669 B5R1.2 OC1CSC1 P17229 [1,0,0,1,0,0|0,0,0]=2 670 B5R1.3 BrCC1CC1 23011 [1,0,0,1,0,0|1,0,0]=3 671 B5R1.3 BrC[C@H]1CO1 D87836 [1,0,0,1,0,0|1,0,0]=3 672 B5R1.3 C#CC1CC1 F15427 [1,0,0,1,0,0|1,0,1]=4 673 B5R1.3 C=C[C@@H]1CO1 D90487 [1,0,0,1,0,0|0,0,2]=4 674 B5R1.3 CC[C@H]1CO1 A11382 [1,0,0,1,0,0|0,0,0]=2 675 B5R1.3 CNC1CC1 83251 [1,0,0,1,0,0|2,0,0]=4 676 B5R1.3 CNC1CC1 BL006056 [1,0,0,1,0,0|2,0,0]=4 677 B5R1.3 ClCC1CC1 58186 [1,0,0,1,0,0|1,0,0]=3 678 B5R1.3 ClC[C@H]1CO1 37930 [1,0,0,1,0,0|1,0,0]=3 679 B5R1.3 NCC1CC1 F11902 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.3 O=CC1CC1 82833 [1,0,0,1,0,0|0,0,2]=4 681 B5R1.3 OC[C@H]1CO1 23077 [1,0,0,1,0,0|0,1,0]=3 682 B5R1.3 OC[C@H]1CO1 A10767 [1,0,0,1,0,0|0,1,0]=3 683 B5R1.3 OC[C@H]1CO1 H11320 [1,0,0,1,0,0|0,1,0]=3 684 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.1 BrCC1CCCC1 54494 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.1 BrCC1OCCO1 O10502 [0,1,0,1,0,0|0,1,0]=3 687 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.1 C#CC1CCCC1 F16298 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.1 CCN1CCCC1 F17079 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.1 CNC1CCCC1 F20064 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.1 CN[C@H]1CCNC1 22848 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.1 CN[C@H]1CCNC1 71156 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.1 CN[C@H]1CCOC1 P10528 [0,1,0,1,0,0|1,1,0]=4 694 B7R1.1 CN[C@H]1CCOC1 P10858 [0,1,0,1,0,0|1,1,0]=4 695 B7R1.1 COC1OCCO1 D78408 [0,1,0,1,0,0|0,1,0]=3 696 B7R1.1 CO[C@H]1CCNC1 27715 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.1 CO[C@H]1CCNC1 63946 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.1 CO[C@H]1CCNC1 63947 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.1 CO[C@H]1CCNC1 P10861 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.1 CSC1=NCCS1 D91471 [0,1,0,1,0,0|1,0,1]=4 701 B7R1.1 ClCC1OCCO1 H10733 [0,1,0,1,0,0|0,1,0]=3 702 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,1,0,1,0,0|1,0,0]=3 703 B7R1.1 ICC1CCCC1 53338 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.1 IC[C@H]1CCOC1 P10359 [0,1,0,1,0,0|1,1,0]=4 705 B7R1.1 N#CC1CCCC1 35375 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.1 N#C[C@H]1CCOC1 71748 [0,1,0,1,0,0|1,1,0]=4 707 B7R1.1 NCC1CCCC1 52183 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.1 NCC1OCCO1 F50673 [0,1,0,1,0,0|0,1,0]=3 709 B7R1.1 NC[C@H]1CCCN1 36336 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.1 NC[C@H]1CCCN1 38156 [0,1,0,1,0,0|2,0,0]=4 711 B7R1.1 NC[C@H]1CCOC1 37315 [0,1,0,1,0,0|1,1,0]=4 712 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,1,0,1,0,0|1,1,0]=4 713 B7R1.1 NNC1CCCC1 AB1370 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.1 O=CC1CCCC1 H11353 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,1,0,1,0,0|0,1,1]=4 716 B7R1.1 OCC1CC=CC1 23897 [0,1,0,1,0,0|1,0,1]=4 717 B7R1.1 OCC1CCCC1 23321 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.1 OCC1OCCO1 I11345 [0,1,0,1,0,0|0,1,0]=3 719 B7R1.1 OC[C@H]1CCCN1 11146 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.1 OC[C@H]1CCCN1 11148 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.1 OC[C@H]1CCCN1 F10903 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.1 OC[C@H]1CCCO1 D77646 [0,1,0,1,0,0|0,1,0]=3 723 B7R1.1 OC[C@H]1CCCO1 W18447 [0,1,0,1,0,0|0,1,0]=3 724 B7R1.1 OC[C@H]1CCNC1 25702 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.1 OC[C@H]1CCNC1 62385 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.1 OC[C@H]1CCNC1 62386 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.1 OC[C@H]1CCNC1 62387 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.1 OC[C@H]1CCOC1 83670 [0,1,0,1,0,0|0,1,0]=3 729 B7R1.1 OC[C@H]1COCO1 D70284 [0,1,0,1,0,0|0,1,0]=3 730 B7R1.1 ON=C1CCCC1 FD9020 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.2 CC1CCC(C)N1 D96806 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.2 CN1CC[C@H](N)C1 25845 [0,1,0,1,0,0|2,0,0]=4 733 B7R1.2 CN1CC[C@H](N)C1 72398 [0,1,0,1,0,0|2,0,0]=4 734 B7R1.2 CN1CC[C@H](O)C1 62204 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.2 CN1CC[C@H](O)C1 62205 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.2 CN1CC[C@H](O)C1 62206 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,1,0,1,0,0|2,0,0]=4 738 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,1,0,0|0,1,1]=4 743 B7R1.2 OC1CCC(O)C1 P10003 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.3 BrC1CCCCC1 P19773 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.3 BrC1CCNCC1 CL3102 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.3 BrC1CCOCC1 34656 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,1,0,1,0,0|2,0,0]=4 748 B7R1.3 Br[C@H]1CCCOC1 26576 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.3 CC1=CCCCC1 H10759 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.3 CC1=CCCNC1 39250 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.3 CC1SCCCS1 D75611 [0,1,0,1,0,0|0,1,0]=3 752 B7R1.3 CN1CCNCC1 D70771 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.3 CN1CCOCC1 AB7556 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.3 C[C@H]1CCCCN1 64251 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.3 C[C@H]1CCCCN1 64253 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.3 C[C@H]1CCCNC1 79119 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.3 C[C@H]1CCCNC1 N10739 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.3 C[C@H]1CNCCN1 29363 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.3 C[C@H]1CNCCN1 29364 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.3 C[C@H]1CNCCN1 29365 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.3 C[C@H]1CNCCN1 29366 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.3 C[C@H]1CNCCO1 27675 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.3 C[C@H]1CNCCO1 F13092 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.3 C[C@H]1COCCN1 24436 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.3 C[C@H]1COCCN1 25281 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.3 C[C@H]1COCCN1 36208 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.3 C[C@H]1COCCN1 39286 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.3 C[C@H]1COCCN1 63476 [0,1,0,1,0,0|1,0,0]=3 769 B7R1.3 ClC1CCNCC1 57750 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.3 ClC1CCOCC1 F17652 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.3 FC1CCNCC1 37042 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.3 FC1CCNCC1 I11481 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.3 F[C@H]1CCCNC1 37083 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.3 IC1CCCCC1 F20359 [0,1,0,1,0,0|2,0,0]=4 775 B7R1.3 IC1CCOCC1 25900 [0,1,0,1,0,0|1,0,0]=3 776 B7R1.3 NC1CCNCC1 66081 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.3 NC1CCNCC1 66087 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.3 NC1CCOCC1 66544 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.3 NC1CCOCC1 83442 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.3 NC1CCOCC1 D95622 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.3 NC1CCSCC1 F15695 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.3 NC1CCSCC1 SC1591 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.3 NN1CCCCC1 77856 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.3 NN1CCCCC1 78303 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.3 NN1CCOCC1 28683 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.3 N[C@H]1CCCNC1 51800 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.3 N[C@H]1CCCNC1 51802 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.3 N[C@H]1CCCNC1 51816 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.3 N[C@H]1CCCNC1 D77676 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.3 N[C@H]1CCCOC1 53314 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.3 N[C@H]1CCCOC1 69737 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.3 N[C@H]1CCCOC1 P10539 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.3 O=C1CCCCO1 20506 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.3 O=C1CCCOC1 67990 [0,1,0,1,0,0|1,0,1]=4 795 B7R1.3 O=C1CCCSC1 38182 [0,1,0,1,0,0|0,0,2]=4 796 B7R1.3 O=C1CCNCC1 AB2978 [0,1,0,1,0,0|1,0,1]=4 797 B7R1.3 O=C1CCNCC1 AB7716 [0,1,0,1,0,0|1,0,1]=4 798 B7R1.3 O=C1CCOCC1 28100 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.3 O=C1CCSCC1 34742 [0,1,0,1,0,0|0,0,1]=3 800 B7R1.3 O=C1COCCN1 35814 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.3 O=C1COCCO1 39291 [0,1,0,1,0,0|0,1,1]=4 802 B7R1.3 O=S1CCNCC1 C10519 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.3 OC1CCNCC1 34448 [0,1,0,1,0,0|1,0,0]=3 804 B7R1.3 OC1CCNCC1 67739 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.3 OC1CCOCC1 67293 [0,1,0,1,0,0|0,1,0]=3 806 B7R1.3 OC1CCSCC1 25187 [0,1,0,1,0,0|0,0,0]=2 807 B7R1.3 OC1COCOC1 C10654 [0,1,0,1,0,0|0,1,0]=3 808 B7R1.3 ON1CCCCC1 65654 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,1,0,1,0,0|1,0,0]=3 812 B7R1.3 O[C@H]1CCCNC1 29155 [0,1,0,1,0,0|1,0,0]=3 813 B7R1.3 O[C@H]1CCCNC1 29156 [0,1,0,1,0,0|1,0,0]=3 814 B7R1.3 O[C@H]1CCCNC1 29157 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.3 O[C@H]1CCCNC1 37164 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.3 O[C@H]1CCCNC1 67738 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.3 O[C@H]1CCCNC1 P10773 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.3 O[C@H]1CCCOC1 25828 [0,1,0,1,0,0|0,1,0]=3 819 B7R1.4 CC1OCCC1S AT13652 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,1,0,1,0,0|0,0,1]=3 822 B7R1.4 C[C@H]1CCCC1=O 29606 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.4 NC1CCCC1O 25425 [0,1,0,1,0,0|1,0,0]=3 824 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,1,0,1,0,0|1,0,0]=3 827 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,1,0,1,0,0|1,0,0]=3 828 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,1,0,1,0,0|1,0,0]=3 829 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,1,0,1,0,0|1,0,0]=3 830 B7R1.4 N[C@H]1CCSC1=O F17227 [0,1,0,1,0,0|1,0,1]=4 831 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,1,0,1,0,0|0,1,0]=3 832 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,1,0,1,0,0|0,1,1]=4 836 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,1,0,1,0,0|0,1,1]=4 837 B7R1.4 OC1CCCC1O 31469 [0,1,0,1,0,0|1,0,0]=3 838 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,1,0,1,0,0|1,0,0]=3 839 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,1,0,1,0,0|1,0,0]=3 840 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,1,0,1,0,0|1,0,0]=3 841 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,1,0,1,0,0|1,0,0]=3 844 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,1,0,1,0,0|0,1,0]=3 845 B7R1.6 CCOC1CNC1 25335 [0,1,0,1,0,0|1,1,0]=4 846 B7R1.6 COC[C@H]1CCN1 P13481 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.6 COC[C@H]1CCN1 P14494 [0,1,0,1,0,0|1,0,0]=3 848 B7R1.6 NCCN1CCC1 P15319 [0,1,0,1,0,0|2,0,0]=4 849 B7R1.6 NNCC1CCC1 D93648 [0,1,0,1,0,0|2,0,0]=4 850 B7R1.10 CCN1CC(N)C1 P20448 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.10 CCN1CC(O)C1 32510 [0,1,0,1,0,0|1,0,0]=3 852 B7R1.10 CCN1CC(O)C1 P11466 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.10 CN1CC(CO)C1 P15220 [0,1,0,1,0,0|2,0,0]=4 854 B7R1.10 NC1CC(CO)C1 37213 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [0,1,0,1,0,0|2,0,0]=4 856 B7R1.10 NC[C@H]1C[C@H](F)C1 38650 [0,1,0,1,0,0|2,0,0]=4 857 B7R1.10 O=C1CC(CO)C1 P11065 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.10 OCC1CC(Cl)C1 38986 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.22 CC[C@H](N)C1CC1 P15918 [0,1,0,1,0,0|2,0,0]=4 860 B7R1.22 CC[C@H](O)C1CC1 P15300 [0,1,0,1,0,0|2,0,0]=4 861 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [0,1,0,1,0,0|2,0,0]=4 862 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [0,1,0,1,0,0|2,0,0]=4 863 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.25 CC1(CBr)CCC1 P19189 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.25 CC1(CN)CCC1 38631 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.25 CC1(CO)COC1 59847 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.25 CCC1(N)CCC1 D79212 [0,1,0,1,0,0|2,0,0]=4 868 B7R1.25 NC1(CO)CCC1 37739 [0,1,0,1,0,0|1,0,0]=3 869 B7R1.25 OCC1(F)CNC1 86197 [0,1,0,1,0,0|2,0,0]=4 870 B7R1.7 C=CCC[C@H]1CO1 F17137 [0,1,0,1,0,0|1,0,1]=4 871 B7R1.7 CCNCC1CC1 F14236 [0,1,0,1,0,0|2,0,0]=4 872 B7R1.7 OCC#CC1CC1 78487 [0,1,0,1,0,0|1,0,1]=4 873 B7R1.14 CC1(C)CCNC1 AB7085 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.14 CC1(C)NCCS1 23422 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.14 CC1(O)CCCC1 35177 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.14 C[C@]1(O)CCNC1 37166 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.14 C[C@]1(O)CCNC1 72101 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.14 FC1(F)CCNC1 60328 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.14 FC1(F)CCNC1 I11425 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.18 C[C@H](O)C1CCC1 24983 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.18 C[C@H](O)C1CCC1 P18048 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.18 O=C(O)C1CCC1 59526 [0,1,0,1,0,0|1,0,1]=4 883 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [0,1,0,1,0,0|1,0,1]=4 884 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.18 OB(O)C1CCC1 35984 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.20 O=C(O)CC1CC1 CL4520 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.23 OC[C@H]1CC1(F)F 33581 [0,1,0,1,0,0|2,0,0]=4 891 B7R1.24 C1CNCCNC1 F10906 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.24 C1CNCCOC1 31105 [0,1,0,1,0,0|1,0,0]=3 893 B7R2.13 C1CC2OC2C1 28601 [0,0,0,2,0,0|1,0,0]=3 894 B7R2.13 C1NCC2CC12 80416 [0,0,0,2,0,0|2,0,0]=4 895 B7R2.13 C1OCC2OC12 39124 [0,0,0,2,0,0|0,1,0]=3