0 B9R0.2 B(C=CCCCCC)(O)O E334496 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C#CCCCCCC(=O)O O491862 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.2 C=CCCCCCC(=O)O O168152 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.2 CC(=O)NCCCCCN N159177 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.2 CC(=O)NCCCCCN N423313 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.2 CC(=O)OCCCCC=C H157305 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 CC(=O)OCCCCCBr B152865 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 CCC=CCCOC(=O)C H101224 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 CCCC=CCOC(=O)C H117236 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.2 CCCCCC#CC(=O)O B301308 [0,0,0,0,0,0|0,0,2]=2 16 B9R0.2 CCCCCC=CC(=O)C N302867 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCC=CC(=O)O T162199 [0,0,0,0,0,0|0,0,2]=2 18 B9R0.2 CCCCCC=CC(=O)O T422289 [0,0,0,0,0,0|0,0,2]=2 19 B9R0.2 CCCCCCCC(=O)C N105585 [0,0,0,0,0,0|1,0,0]=1 20 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,0,0,0,0,0|1,0,0]=1 21 B9R0.2 CCCCCCCC(=O)N N159412 [0,0,0,0,0,0|1,0,0]=1 22 B9R0.2 CCCCCCCC(=O)O N421038 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.2 CCCCCCCC(=O)O O108276 [0,0,0,0,0,0|0,0,0]=0 24 B9R0.2 CCCCCCCC(=O)O O108277 [0,0,0,0,0,0|0,0,0]=0 25 B9R0.2 CCCCCCCC(=O)O O108278 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.2 CCCCCCCC(=O)O O108279 [0,0,0,0,0,0|0,0,0]=0 27 B9R0.2 CCCCCCCC(=O)O O431649 [0,0,0,0,0,0|0,0,0]=0 28 B9R0.2 CCCCCCCC(=O)O R113304 [0,0,0,0,0,0|0,0,0]=0 29 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,0,0,0,0,0|0,0,1]=1 30 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,0,0,0,0,0|0,0,1]=1 31 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,0,0,0,0,0|0,0,1]=1 32 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,0,0,0,0,0|0,0,1]=1 33 B9R0.2 CCCCCCCC(C)C M158518 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.2 CCCCCCCC(C)C M406711 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.2 CCCCCCCC(C)O N159697 [0,0,0,0,0,0|1,0,1]=2 36 B9R0.2 CCCCCCCC(C)O N298586 [0,0,0,0,0,0|1,0,1]=2 37 B9R0.2 CCCCCCOC(=O)C H111061 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.2 CCCCCCOC(=O)C H111062 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.2 CCCCCCOC(=O)C H111063 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,0,0,0,0,0|2,0,0]=2 41 B9R0.2 CCCNCCCN(C)C D587926 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.2 CN(C)CCCCCCO D133261 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.2 COCCCCCC(=O)O M170253 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.4 C#CCCCCCCBr B590235 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.4 C#CCCCCCCN O587273 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.4 C#CCCCCCCO O136501 [1,0,0,0,0,0|0,0,3]=4 47 B8R0.4 C(CCCBr)CCC#N B354089 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.4 C(CCCBr)CCCBr D106496 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 C(CCCN)CCCN D111099 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.4 C(CCCN)CCCO A493194 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.4 C(CCCO)CCCBr B132089 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 C(CCCO)CCCO H136447 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.4 C(CNCCCO)CO H302815 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.4 C(CO)COCCCO O588346 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.4 C(CO)CSCCCO T472193 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.4 C=CCCCCCCBr B134900 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.4 C=CCCCCCCO O159908 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.4 CCC=CCCCCO C153379 [1,0,0,0,0,0|0,0,3]=4 59 B8R0.4 CCC=CCCOC=O H117494 [1,0,0,0,0,0|1,0,2]=4 60 B8R0.4 CCCCC#CCCO O159921 [1,0,0,0,0,0|0,0,3]=4 61 B8R0.4 CCCCC=CCCO C153378 [1,0,0,0,0,0|0,0,3]=4 62 B8R0.4 CCCCCC=CC=O O105936 [1,0,0,0,0,0|0,0,2]=3 63 B8R0.4 CCCCCC=CC=O O303154 [1,0,0,0,0,0|0,0,2]=3 64 B8R0.4 CCCCCC=CCO T161811 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.4 CCCCCCCC#C N100831 [1,0,0,0,0,0|1,0,1]=3 66 B8R0.4 CCCCCCCC=C N109555 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.4 CCCCCCCC=C N110481 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.4 CCCCCCCC=O O106930 [1,0,0,0,0,0|0,0,0]=1 69 B8R0.4 CCCCCCCC=O O106931 [1,0,0,0,0,0|0,0,0]=1 70 B8R0.4 CCCCCCCC=O O345608 [1,0,0,0,0,0|0,0,0]=1 71 B8R0.4 CCCCCCCCBr B105260 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.4 CCCCCCCCC N103391 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.4 CCCCCCCCC N103392 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.4 CCCCCCCCC N103393 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 CCCCCCCCC N119711 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.4 CCCCCCCCCl C111401 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.4 CCCCCCCCCl C111402 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.4 CCCCCCCCF F170468 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.4 CCCCCCCCI I157580 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.4 CCCCCCCCN N159007 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.4 CCCCCCCCN N159690 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.4 CCCCCCCCN O110545 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 CCCCCCCCN O110546 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.4 CCCCCCCCN O491873 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.4 CCCCCCCCN O492190 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.4 CCCCCCCCO O103324 [1,0,0,0,0,0|0,0,1]=2 87 B8R0.4 CCCCCCCCO O103325 [1,0,0,0,0,0|0,0,1]=2 88 B8R0.4 CCCCCCCCO O103326 [1,0,0,0,0,0|0,0,1]=2 89 B8R0.4 CCCCCCCCO O119018 [1,0,0,0,0,0|0,0,1]=2 90 B8R0.4 CCCCCCCCO O119679 [1,0,0,0,0,0|0,0,1]=2 91 B8R0.4 CCCCCCCCO O491594 [1,0,0,0,0,0|0,0,1]=2 92 B8R0.4 CCCCCCCCS O105587 [1,0,0,0,0,0|0,1,1]=3 93 B8R0.4 CCCCCCCC[CH2-] N332405 [1,0,0,0,0,0|1,0,1]=3 94 B8R0.4 CCCCCCCC[NH3+] N290338 [1,0,0,0,0,0|1,0,1]=3 95 B8R0.4 CCCCCCCSC H157103 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.4 CCCCCCN=C=O H157416 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.4 CCCCCCN=C=S H140517 [1,0,0,0,0,0|1,1,1]=4 98 B8R0.4 CCCCCCOC=O H113684 [1,0,0,0,0,0|1,0,0]=2 99 B8R0.4 CCCCCCON=O H157340 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.4 CCCCNCCCC D111219 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.4 CCCCNCCCC D189175 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.4 CCCCNCCCC D345139 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.4 CCCCNCCCC D404365 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.4 CCCCNCCCC D404367 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.4 CCCCNCCCC D431482 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.4 CCCCNCCCC D494160 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.4 CCCCOCCC#N B152448 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.4 CCCCOCCCC B110451 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.4 CCCCOCCCC B110452 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.4 CCCCOCCCC B110453 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.4 CCCCOCCCC B119693 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.4 CCCCOCCCC B194104 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.4 CCCCOCCCN B152034 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.4 CCCCSCCCC B136661 [1,0,0,0,0,0|2,0,1]=4 115 B8R0.4 CCOCCOCCO D104410 [1,0,0,0,0,0|2,0,1]=4 116 B8R0.4 CCOCCOCCO D104411 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.4 CCOCCOCCO D104412 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.4 COCCCCCOC D155548 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.7 B(CCCCCC)(O)O H299977 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.7 C#CCCCCC(=O)O H107741 [1,0,0,0,0,0|0,0,2]=3 121 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,0,0,0,0,0|2,0,0]=3 122 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,0,0,0,0,0|2,0,0]=3 123 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,0,0,0,0,0|2,0,0]=3 124 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,0,0,0,0|1,0,0]=2 125 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,0,0,0,0|1,0,0]=2 126 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,0,0,0,0|1,0,0]=2 127 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,0,0,0,0|1,0,0]=2 128 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,0,0,0,0|1,0,0]=2 129 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,0,0,0,0|1,0,0]=2 130 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,0,0,0,0|1,0,0]=2 131 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,0,0,0,0,0|1,0,1]=3 132 B8R0.7 C(CN)CNCC(=O)O N159195 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.7 C(CNCC(=O)O)C#N N159829 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.7 C=CCOCCC(=O)O A151450 [1,0,0,0,0,0|1,0,2]=4 136 B8R0.7 CC(=O)NCCCCN I168071 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.7 CC(=O)NCCCCN N159176 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.7 CC(=O)OCCCCBr B136623 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.7 CC(=O)OCCCCCl C133987 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.7 CC(=O)OCCCCI I476998 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.7 CC(=O)OCCCSC M157982 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.7 CCCC=CCC(=O)O H303362 [1,0,0,0,0,0|0,0,2]=3 143 B8R0.7 CCCCC#CC(=O)O H157081 [1,0,0,0,0,0|0,0,2]=3 144 B8R0.7 CCCCC=CC(=O)C O100829 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.7 CCCCC=CC(=O)O H305279 [1,0,0,0,0,0|0,0,2]=3 146 B8R0.7 CCCCCCC(=O)C O111186 [1,0,0,0,0,0|1,0,0]=2 147 B8R0.7 CCCCCCC(=O)C O111187 [1,0,0,0,0,0|1,0,0]=2 148 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,0,0,0,0|1,0,0]=2 149 B8R0.7 CCCCCCC(=O)O H103518 [1,0,0,0,0,0|0,0,0]=1 150 B8R0.7 CCCCCCC(=O)O H103519 [1,0,0,0,0,0|0,0,0]=1 151 B8R0.7 CCCCCCC(=O)O H103520 [1,0,0,0,0,0|0,0,0]=1 152 B8R0.7 CCCCCCC(=O)O H431469 [1,0,0,0,0,0|0,0,0]=1 153 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,0,0,0,0|0,0,1]=2 154 B8R0.7 CCCCCCC(C)Br B152446 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.7 CCCCCCC(C)C M158524 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.7 CCCCCCC(C)N A151716 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.7 CCCCCCC(C)N I169738 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.7 CCCCCCC(C)O O111525 [1,0,0,0,0,0|1,0,1]=3 159 B8R0.7 CCCCCCC(C)O O111526 [1,0,0,0,0,0|1,0,1]=3 160 B8R0.7 CCCCCCC(C)O O111527 [1,0,0,0,0,0|1,0,1]=3 161 B8R0.7 CCCCCCC(C)O O111528 [1,0,0,0,0,0|1,0,1]=3 162 B8R0.7 CCCCCCC(C)O R160889 [1,0,0,0,0,0|1,0,1]=3 163 B8R0.7 CCCCCCC(C)O S161171 [1,0,0,0,0,0|1,0,1]=3 164 B8R0.7 CCCCCCN(C)C N303722 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.7 CCCCCOC(=O)C A103450 [1,0,0,0,0,0|2,0,0]=3 166 B8R0.7 CCCCCOC(=O)C A103451 [1,0,0,0,0,0|2,0,0]=3 167 B8R0.7 CCCCCOC(=O)C A103452 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.7 CCCCCOC(=O)Cl A139129 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.7 CCCCCOC(=S)[S-] P160308 [1,0,0,0,0,0|1,2,0]=4 170 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.7 CCCCOCC(=O)O B152317 [1,0,0,0,0,0|1,0,0]=2 172 B8R0.7 CCCCOCC(C)O B151801 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.7 CCOCCOC(=O)C E105181 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.7 CCOCCOC(=O)C E105183 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.7 CCOCCOC(=O)C E105184 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 COCCOCC(=O)O M138320 [1,0,0,0,0,0|2,0,0]=3 177 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,1,0,0,0,0|0,0,1]=2 179 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,1,0,0,0,0|2,0,0]=3 180 B10R0.3 CCOC(=O)CCCC(=O)C E138206 [0,1,0,0,0,0|2,0,1]=4 181 B10R0.3 CCOC(=O)CCCC(=O)Cl E138942 [0,1,0,0,0,0|2,0,1]=4 182 B10R0.3 CCOC(=O)CCCC(=O)O M158393 [0,1,0,0,0,0|1,0,1]=3 183 B10R0.4 B(C=CCCCCCC)(O)O I170305 [0,1,0,0,0,0|1,0,2]=4 184 B10R0.4 B(CCCCCCCC)(O)O N404820 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.4 C(CCC(=O)O)CCN=[N+]=[N-] A479506 [0,1,0,0,0,0|2,0,0]=3 186 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,1,0,0,0,0|0,0,0]=1 187 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,1,0,0,0,0|0,0,0]=1 188 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,1,0,0,0,0|0,0,0]=1 189 B10R0.4 C(COCCOCC(=O)O)N A405690 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,1,0,0,0,0|0,0,1]=2 191 B10R0.4 CC(C)CCCCCCCO I298943 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,0,0,0,0|1,0,1]=3 193 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,1,0,0,0,0|0,0,1]=2 194 B10R0.4 CCCCCCCCC(=O)C D139185 [0,1,0,0,0,0|1,0,0]=2 195 B10R0.4 CCCCCCCCC(=O)C D139186 [0,1,0,0,0,0|1,0,0]=2 196 B10R0.4 CCCCCCCCC(=O)C D464910 [0,1,0,0,0,0|1,0,0]=2 197 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,1,0,0,0,0|1,0,0]=2 198 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,1,0,0,0,0|1,0,0]=2 199 B10R0.4 CCCCCCCCC(=O)O N110892 [0,1,0,0,0,0|0,0,0]=1 200 B10R0.4 CCCCCCCCC(=O)O N110893 [0,1,0,0,0,0|0,0,0]=1 201 B10R0.4 CCCCCCCCC(=O)O N110894 [0,1,0,0,0,0|0,0,0]=1 202 B10R0.4 CCCCCCCCC(=O)O N110895 [0,1,0,0,0,0|0,0,0]=1 203 B10R0.4 CCCCCCCCC(=O)O N196934 [0,1,0,0,0,0|0,0,0]=1 204 B10R0.4 CCCCCCCCC(=O)O N420639 [0,1,0,0,0,0|0,0,0]=1 205 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,1,0,0,0,0|0,0,1]=2 206 B10R0.4 CCCCCCCCC(C)C M304432 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.4 CCCCCCCCC(C)O D154355 [0,1,0,0,0,0|1,0,1]=3 208 B10R0.4 CCCCCCCCN(C)C D106326 [0,1,0,0,0,0|3,0,0]=4 209 B10R0.4 CCCCCCCOC(=O)C H157248 [0,1,0,0,0,0|1,0,0]=2 210 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,1,0,0,0,0|1,0,0]=2 211 B10R0.4 CCCCOCCOC(=O)C B111057 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,0,0,0,0|1,0,0]=2 213 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,1,0,0,0,0|0,0,0]=1 214 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.22 CCCCCCCP(=O)(O)O H157407 [0,1,0,0,0,0|1,0,0]=2 216 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104933 [0,1,0,0,0,0|1,0,1]=3 217 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104934 [0,1,0,0,0,0|1,0,1]=3 218 B10R0.22 CCCCCCCS(=O)(=O)[O-] S189072 [0,1,0,0,0,0|1,0,1]=3 219 B10R0.22 CCCCCCCS(=O)(=O)[O-] S475289 [0,1,0,0,0,0|1,0,1]=3 220 B10R0.22 CCCCCCC[Sn](Cl)(Cl)Cl T337341 [0,1,0,0,0,0|3,0,0]=4 221 B10R0.22 CCCCCCOS(=O)(=O)C H157015 [0,1,0,0,0,0|2,0,1]=4 222 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,1,0,0,0,0|2,0,1]=4 223 B10R0.55 COC(=O)CCCCC(=O)Cl M169854 [0,1,0,0,0,0|2,0,1]=4 224 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,1,0,0,0,0|1,0,1]=3 225 B10R0.74 CCCCCC#CC(=O)OC M107624 [0,1,0,0,0,0|0,0,2]=3 226 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,1,0,0,0,0|0,0,2]=3 227 B10R0.74 CCCCCCCC(=O)CC D154228 [0,1,0,0,0,0|1,0,0]=2 228 B10R0.74 CCCCCCCC(=O)NN N159466 [0,1,0,0,0,0|1,0,0]=2 229 B10R0.74 CCCCCCCC(=O)NO O123988 [0,1,0,0,0,0|0,0,0]=1 230 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,1,0,0,0,0|0,0,1]=2 231 B10R0.74 CCCCCCCC(=O)OC M158053 [0,1,0,0,0,0|0,0,0]=1 232 B10R0.74 CCCCCCCC(=O)OC M158158 [0,1,0,0,0,0|0,0,0]=1 233 B10R0.74 CCCCCCCC(C=C)O D154363 [0,1,0,0,0,0|1,0,1]=3 234 B10R0.74 CCCCCCCC(CC)O D154380 [0,1,0,0,0,0|1,0,1]=3 235 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,1,0,0,0,0|2,0,0]=3 236 B10R0.74 CCCCCCOC(=O)CC H157249 [0,1,0,0,0,0|2,0,0]=3 237 B10R0.74 CCCCOCNC(=O)C=C N159035 [0,1,0,0,0,0|3,0,0]=4 238 B10R0.74 COC(=O)CCCCCCBr M303935 [0,1,0,0,0,0|1,0,0]=2 239 B10R0.74 COC(=O)CCCCCCN M191642 [0,1,0,0,0,0|1,0,0]=2 240 B10R0.75 C(CO)CSCC(C(=O)O)N F129236 [0,1,0,0,0,0|2,0,0]=3 241 B10R0.75 C(CO)CSCC(C(=O)O)N F421233 [0,1,0,0,0,0|2,0,0]=3 242 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,1,0,0,0,0|0,0,1]=2 243 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,1,0,0,0,0|0,0,0]=1 244 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,1,0,0,0,0|0,0,0]=1 245 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,1,0,0,0,0|0,0,0]=1 246 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,1,0,0,0,0|0,0,0]=1 247 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,1,0,0,0,0|0,0,0]=1 248 B10R0.78 CCCOC(=O)CCC(=O)C P404929 [0,1,0,0,0,0|2,0,1]=4 249 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl P124592 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,1,0,0,0,0|1,0,1]=3 251 B10R0.97 C(COCCC(=O)O)C(=O)O O589607 [0,1,0,0,0,0|2,0,1]=4 252 B10R0.97 C(CSCCC(=O)O)C(=O)O T106635 [0,1,0,0,0,0|2,0,1]=4 253 B10R0.97 C(CSCCC(=O)O)C(=O)O T431470 [0,1,0,0,0,0|2,0,1]=4 254 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,1,0,0,0,0|0,0,1]=2 255 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,0,0,1,0,0|0,0,0]=1 256 B10R1.10 CCOC1=CC(=O)CCC1 E156472 [0,0,0,1,0,0|2,0,1]=4 257 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,0,0,1,0,0|0,0,0]=1 258 B10R1.18 B(CC1CCCCC1)(O)O C335897 [0,0,0,1,0,0|1,0,1]=3 259 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,0,0,1,0,0|1,0,0]=2 260 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,0,0,1,0,0|0,0,0]=1 261 B10R1.18 C1CCC(CC1)NC(=O)N C153499 [0,0,0,1,0,0|2,0,0]=3 262 B10R1.18 C1CCC(CC1)NC(=S)N C153741 [0,0,0,1,0,0|2,1,0]=4 263 B10R1.18 C1CCN(CC1)CC(=O)O D303438 [0,0,0,1,0,0|1,0,0]=2 264 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,0,0,1,0,0|1,0,0]=2 265 B10R1.18 C1COCCN1CC(=O)O M137089 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.18 C1COCCN1CC(=O)O M192727 [0,0,0,1,0,0|2,0,0]=3 267 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,0,0,1,0,0|1,0,0]=2 268 B10R1.18 CC(=O)NC1CCCNC1 A151172 [0,0,0,1,0,0|3,0,0]=4 269 B10R1.18 CC(=O)NC1CCNCC1 A139032 [0,0,0,1,0,0|3,0,0]=4 270 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,0,0,1,0,0|2,0,0]=3 271 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,0,0,1,0,0|2,0,1]=4 272 B10R1.39 CCN1CCCC1C(=O)N R404393 [0,0,0,1,0,0|2,0,0]=3 273 B10R1.39 CCN1CCCC1C(=O)N S161270 [0,0,0,1,0,0|2,0,0]=3 274 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,0,0,1,0,0|2,0,1]=4 275 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,0,0,1,0,0|1,0,0]=2 276 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,0,0,1,0,0|1,0,0]=2 277 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,0,0,1,0,0|2,0,1]=4 278 B10R1.61 CC1C(CCCN1)C(=O)O M190173 [0,0,0,1,0,0|1,0,0]=2 279 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,0,0,1,0,0|0,0,0]=1 280 B10R1.64 C1CC(=O)N(C1)CC(=O)O O193821 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,0,0,1,0,0|1,0,1]=3 282 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,0,0,1,0,0|1,0,0]=2 283 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,0,0,1,0,0|0,0,0]=1 284 B10R1.66 CC(=O)OCC1CCCO1 T161761 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,0,0,1,0,0|1,0,0]=2 286 B10R1.348 C1CCCC(CC1)C(=O)Cl C589802 [0,0,0,1,0,0|1,0,0]=2 287 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,0,0,1,0,0|0,0,0]=1 288 B10R1.348 C1CCCN(CC1)C(=S)N A479368 [0,0,0,1,0,0|2,1,0]=4 289 B7R0.1 C#CCCCCCO H135241 [2,0,0,0,0,0|0,0,2]=4 290 B7R0.1 C(CCC=O)CC=O A302164 [2,0,0,0,0,0|1,0,1]=4 291 B7R0.1 C(CCCBr)CCBr D106541 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.1 C(CCCBr)CCCl B111196 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.1 C(CCCBr)CCF B405383 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.1 C(CCCBr)CCO B138834 [2,0,0,0,0,0|1,0,0]=3 295 B7R0.1 C(CCCBr)CCO S304692 [2,0,0,0,0,0|1,0,0]=3 296 B7R0.1 C(CCCCl)CCCl D110131 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.1 C(CCCCl)CCO C109454 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.1 C(CCCI)CCCl C153665 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.1 C(CCCI)CCI D119377 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.1 C(CCCN)CCN D134228 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.1 C(CCCN)CCN H103908 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.1 C(CCCN)CCN H103909 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.1 C(CCCN)CCN H103910 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.1 C(CCCO)CCN A101232 [2,0,0,0,0,0|1,0,0]=3 305 B7R0.1 C(CCCO)CCO H103707 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.1 C(CCCO)CCO H103708 [2,0,0,0,0,0|1,0,0]=3 307 B7R0.1 C(CCCS)CCN A487010 [2,0,0,0,0,0|1,1,0]=4 308 B7R0.1 C(CCCS)CCO M123042 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.1 C(CCCS)CCO M299208 [2,0,0,0,0,0|1,0,0]=3 310 B7R0.1 C(CCCS)CCS H106695 [2,0,0,0,0,0|1,1,0]=4 311 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.1 C(CN)CNCCO N184580 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.1 C(CNCCN)CO N159094 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.1 C=CCCCCCBr B134159 [2,0,0,0,0,0|1,0,1]=4 317 B7R0.1 C=CCCCCCO H156869 [2,0,0,0,0,0|0,0,2]=4 318 B7R0.1 CCC=CCCC=O C154040 [2,0,0,0,0,0|0,0,2]=4 319 B7R0.1 CCC=CCCCO C153484 [2,0,0,0,0,0|0,0,2]=4 320 B7R0.1 CCCC#CCCO H157374 [2,0,0,0,0,0|0,0,2]=4 321 B7R0.1 CCCC=CCCO C332847 [2,0,0,0,0,0|0,0,2]=4 322 B7R0.1 CCCCC=CC=O T161484 [2,0,0,0,0,0|0,0,2]=4 323 B7R0.1 CCCCC=CCO T161435 [2,0,0,0,0,0|0,0,2]=4 324 B7R0.1 CCCCCC=CC C153583 [2,0,0,0,0,0|1,0,1]=4 325 B7R0.1 CCCCCC=CC O159996 [2,0,0,0,0,0|1,0,1]=4 326 B7R0.1 CCCCCC=CC T161814 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.1 CCCCCCC#C O109633 [2,0,0,0,0,0|0,0,2]=4 328 B7R0.1 CCCCCCC#N H156965 [2,0,0,0,0,0|1,0,1]=4 329 B7R0.1 CCCCCCC=C O108659 [2,0,0,0,0,0|0,0,1]=3 330 B7R0.1 CCCCCCC=C O108660 [2,0,0,0,0,0|0,0,1]=3 331 B7R0.1 CCCCCCC=O H105934 [2,0,0,0,0,0|0,0,0]=2 332 B7R0.1 CCCCCCC=O H105935 [2,0,0,0,0,0|0,0,0]=2 333 B7R0.1 CCCCCCCBr B109258 [2,0,0,0,0,0|1,0,0]=3 334 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|0,0,1]=3 335 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|0,0,1]=3 336 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|0,0,1]=3 337 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|0,0,1]=3 338 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|0,0,1]=3 339 B7R0.1 CCCCCCCCl C153657 [2,0,0,0,0,0|1,0,0]=3 340 B7R0.1 CCCCCCCI I157581 [2,0,0,0,0,0|1,0,0]=3 341 B7R0.1 CCCCCCCN H113175 [2,0,0,0,0,0|1,0,0]=3 342 B7R0.1 CCCCCCCO H108210 [2,0,0,0,0,0|0,0,0]=2 343 B7R0.1 CCCCCCCO H108211 [2,0,0,0,0,0|0,0,0]=2 344 B7R0.1 CCCCCCCO H108212 [2,0,0,0,0,0|0,0,0]=2 345 B7R0.1 CCCCCCCS H102322 [2,0,0,0,0,0|0,1,0]=3 346 B7R0.1 CCCCCCNC N341547 [2,0,0,0,0,0|1,0,1]=4 347 B7R0.1 CCCCCCOC H157292 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.1 CCCCCN=C=O P352487 [2,0,0,0,0,0|1,0,1]=4 349 B7R0.1 CCCCCOC=O A151451 [2,0,0,0,0,0|1,0,0]=3 350 B7R0.1 CCCCCON=O A151126 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.1 CCCCNCCN N159361 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.1 CCCCNCCO B140397 [2,0,0,0,0,0|1,0,0]=3 353 B7R0.1 CCCCNCCO B299088 [2,0,0,0,0,0|1,0,0]=3 354 B7R0.1 CCCCNCCS B469395 [2,0,0,0,0,0|1,1,0]=4 355 B7R0.1 CCCCOCC=C A151096 [2,0,0,0,0,0|1,0,1]=4 356 B7R0.1 CCCCOCCCl B152831 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.1 CCCCOCCN B357161 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.1 CCCCOCCO E110823 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.1 CCCCOCCO E110827 [2,0,0,0,0,0|1,0,0]=3 360 B7R0.1 CCCNCCCN I168897 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.1 COCCOCCO D104406 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.1 COCCOCCO D104407 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.1 COCCOCCO D104408 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.4 B(CCCCC)(O)O N193507 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.4 C#CCCCC(=O)O H111132 [2,0,0,0,0,0|0,0,2]=4 366 B7R0.4 C(CC#N)CC(=O)O C184246 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.4 C(CCBr)CC(=O)Cl B138857 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.4 C(CCBr)CC(=O)O B106966 [2,0,0,0,0,0|1,0,0]=3 369 B7R0.4 C(CCCl)CC(=O)Cl C102473 [2,0,0,0,0,0|2,0,0]=4 370 B7R0.4 C(CCCl)CC(=O)O C153468 [2,0,0,0,0,0|1,0,0]=3 371 B7R0.4 C(CCN)CC(=O)O A107493 [2,0,0,0,0,0|1,0,0]=3 372 B7R0.4 C(CCN)CC(=O)O A151151 [2,0,0,0,0,0|1,0,0]=3 373 B7R0.4 C(CCN)CC(=O)O A151349 [2,0,0,0,0,0|1,0,0]=3 374 B7R0.4 C(CCN)CC(=O)O A491891 [2,0,0,0,0,0|1,0,0]=3 375 B7R0.4 C(CCN)CC(=O)O A491894 [2,0,0,0,0,0|1,0,0]=3 376 B7R0.4 C(CCO)CC(=O)[O-] H184096 [2,0,0,0,0,0|1,0,1]=4 377 B7R0.4 C(CNCC(=O)O)N A124646 [2,0,0,0,0,0|2,0,0]=4 378 B7R0.4 C=CCCCC(=O)O H157078 [2,0,0,0,0,0|0,0,2]=4 379 B7R0.4 CC(=O)CCCCCl C108058 [2,0,0,0,0,0|2,0,0]=4 380 B7R0.4 CCC=CCC(=O)O H101494 [2,0,0,0,0,0|0,0,2]=4 381 B7R0.4 CCCC=CC(=O)O H107513 [2,0,0,0,0,0|0,0,2]=4 382 B7R0.4 CCCC=CC(=O)O H400070 [2,0,0,0,0,0|0,0,2]=4 383 B7R0.4 CCCCCC(=C)C M158504 [2,0,0,0,0,0|2,0,0]=4 384 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|1,0,0]=3 385 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|1,0,0]=3 386 B7R0.4 CCCCCC(=O)Cl H102419 [2,0,0,0,0,0|1,0,0]=3 387 B7R0.4 CCCCCC(=O)Cl H130076 [2,0,0,0,0,0|1,0,0]=3 388 B7R0.4 CCCCCC(=O)N H157108 [2,0,0,0,0,0|1,0,0]=3 389 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|0,0,0]=2 390 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|0,0,0]=2 391 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|0,0,0]=2 392 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|0,0,0]=2 393 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|0,0,0]=2 394 B7R0.4 CCCCCC(=O)[O-] S161313 [2,0,0,0,0,0|0,0,1]=3 395 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|1,0,1]=4 396 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|1,0,1]=4 397 B7R0.4 CCCCNC(=O)N B152704 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.4 CCCCOC(=O)C B116224 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.4 CCCCOC(=O)C B116225 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.4 CCCCOC(=O)C B116227 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.4 CCCCOC(=O)C B116228 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.4 CCCCOC(=O)C B119685 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.4 CCCCOC(=O)N B152422 [2,0,0,0,0,0|2,0,0]=4 404 B7R0.4 CCOCCC(=O)C E156453 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.4 CCOCCC(=O)O E156172 [2,0,0,0,0,0|1,0,0]=3 406 B7R0.4 CNCCCC(=O)O M276212 [2,0,0,0,0,0|1,0,0]=3 407 B7R0.4 CNCCCC(=O)O M397624 [2,0,0,0,0,0|1,0,0]=3 408 B7R0.4 COCCCC(=O)O M192558 [2,0,0,0,0,0|1,0,0]=3 409 B7R0.4 [CH]CCCCC(=O)[N] P111447 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.4 [CH]CCCCC(=O)[N] P128923 [2,0,0,0,0,0|1,0,1]=4 411 B9R0.5 CCCCCC(C)CCC M158520 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.18 CCCCC(C)CCCC M158523 [1,1,0,0,0,0|1,0,1]=4 413 B9R0.18 CCCCC(CCCC)O N159700 [1,1,0,0,0,0|1,0,1]=4 414 B9R0.45 C(CCCCBr)CCCBr D106497 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.45 C(CCCCBr)CCCO B153197 [1,1,0,0,0,0|0,0,1]=3 416 B9R0.45 C(CCCCBr)CCCO B467865 [1,1,0,0,0,0|0,0,1]=3 417 B9R0.45 C(CCCCCl)CCCCl D155002 [1,1,0,0,0,0|1,0,1]=4 418 B9R0.45 C(CCCCCl)CCCO C134369 [1,1,0,0,0,0|0,0,1]=3 419 B9R0.45 C(CCCCI)CCCI D155008 [1,1,0,0,0,0|1,0,1]=4 420 B9R0.45 C(CCCCI)CCCI D473785 [1,1,0,0,0,0|1,0,1]=4 421 B9R0.45 C(CCCCN)CCCN D106924 [1,1,0,0,0,0|1,0,1]=4 422 B9R0.45 C(CCCCN)CCCN O292851 [1,1,0,0,0,0|1,0,1]=4 423 B9R0.45 C(CCCCN)CCCN O492961 [1,1,0,0,0,0|1,0,1]=4 424 B9R0.45 C(CCCCO)CCCN A151057 [1,1,0,0,0,0|0,0,1]=3 425 B9R0.45 C(CCCCO)CCCO O106925 [1,1,0,0,0,0|0,0,1]=3 426 B9R0.45 C(CCCCS)CCCS O109630 [1,1,0,0,0,0|0,1,1]=4 427 B9R0.45 C=CCCCCCCC=C D155279 [1,1,0,0,0,0|1,0,1]=4 428 B9R0.45 C=CCCCCCCCBr B405165 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.45 CCC=CCCCCC=O I168780 [1,1,0,0,0,0|0,0,1]=3 430 B9R0.45 CCC=CCCCCCO N117508 [1,1,0,0,0,0|0,0,2]=4 431 B9R0.45 CCCCCC#CCCO N159701 [1,1,0,0,0,0|0,0,2]=4 432 B9R0.45 CCCCCC=CCCO C153389 [1,1,0,0,0,0|0,0,2]=4 433 B9R0.45 CCCCCCC=CC=O T162631 [1,1,0,0,0,0|0,0,1]=3 434 B9R0.45 CCCCCCC=CCO C153388 [1,1,0,0,0,0|0,0,1]=3 435 B9R0.45 CCCCCCC=CCO T162746 [1,1,0,0,0,0|0,0,1]=3 436 B9R0.45 CCCCCCCCC#C D301987 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.45 CCCCCCCCC#N N158917 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.45 CCCCCCCCC=C D106872 [1,1,0,0,0,0|1,0,0]=3 439 B9R0.45 CCCCCCCCC=C D106873 [1,1,0,0,0,0|1,0,0]=3 440 B9R0.45 CCCCCCCCC=O N111142 [1,1,0,0,0,0|0,0,0]=2 441 B9R0.45 CCCCCCCCCBr B105786 [1,1,0,0,0,0|1,0,1]=4 442 B9R0.45 CCCCCCCCCC D105229 [1,1,0,0,0,0|1,0,1]=4 443 B9R0.45 CCCCCCCCCC D105230 [1,1,0,0,0,0|1,0,1]=4 444 B9R0.45 CCCCCCCCCC D105231 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.45 CCCCCCCCCC D105232 [1,1,0,0,0,0|1,0,1]=4 446 B9R0.45 CCCCCCCCCC D119691 [1,1,0,0,0,0|1,0,1]=4 447 B9R0.45 CCCCCCCCCCl C153658 [1,1,0,0,0,0|1,0,1]=4 448 B9R0.45 CCCCCCCCCI I157582 [1,1,0,0,0,0|1,0,1]=4 449 B9R0.45 CCCCCCCCCN N106767 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.45 CCCCCCCCCO N105713 [1,1,0,0,0,0|0,0,1]=3 451 B9R0.45 CCCCCCCCCO N105714 [1,1,0,0,0,0|0,0,1]=3 452 B9R0.45 CCCCCCCCCO N301992 [1,1,0,0,0,0|0,0,1]=3 453 B9R0.45 CCCCCCCCCS N102324 [1,1,0,0,0,0|0,1,1]=4 454 B9R0.45 CCCCCCCCNC N159069 [1,1,0,0,0,0|1,0,1]=4 455 B9R0.45 CCCCCCCCSC M135102 [1,1,0,0,0,0|0,1,1]=4 456 B9R0.45 CCCCCCCN=C=S H140574 [1,1,0,0,0,0|0,1,1]=4 457 B9R0.45 CCCCCCCNCC E124207 [1,1,0,0,0,0|1,0,1]=4 458 B9R0.45 CCCCCCNCCN B301384 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.45 CCCCCCOCCO E107697 [1,1,0,0,0,0|0,0,1]=3 460 B9R0.45 CCCCCCOCCO E107698 [1,1,0,0,0,0|0,0,1]=3 461 B9R0.45 CCCCNCCCCO B151924 [1,1,0,0,0,0|0,0,1]=3 462 B9R0.45 CNCCCCCCNC N159351 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.45 COCCCCCCOC D155368 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.46 CCCCCCC(C)CC M158519 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.46 CCCCCCC(CC)O N159698 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.46 CCCCCCC(CO)O O108069 [1,1,0,0,0,0|0,0,1]=3 467 B9R0.1 CCC(C)OCCC(=O)C S161386 [1,1,0,0,0,0|2,0,0]=4 468 B9R0.1 COC(=O)CCCC(=O)O M102986 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.4 CCCCC(CC(=O)O)N A165644 [1,1,0,0,0,0|0,0,0]=2 470 B9R0.38 CCCCCCP(=O)(O)O H157410 [1,1,0,0,0,0|1,0,0]=3 471 B9R0.38 CCCCCCS(=O)(=O)[O-] H189073 [1,1,0,0,0,0|1,0,1]=4 472 B9R0.38 CCCCCCS(=O)(=O)[O-] S104947 [1,1,0,0,0,0|1,0,1]=4 473 B9R0.38 CCCCCCS(=O)(=O)[O-] S104948 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [1,1,0,0,0,0|1,0,0]=3 475 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [1,1,0,0,0,0|1,0,0]=3 476 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [1,1,0,0,0,0|1,0,0]=3 477 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [1,1,0,0,0,0|1,0,0]=3 478 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [1,1,0,0,0,0|1,0,0]=3 480 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [1,1,0,0,0,0|1,0,0]=3 481 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [1,1,0,0,0,0|1,0,0]=3 482 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [1,1,0,0,0,0|1,0,0]=3 483 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [1,1,0,0,0,0|1,0,0]=3 484 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [1,1,0,0,0,0|1,0,0]=3 485 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [1,1,0,0,0,0|1,0,0]=3 486 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [1,1,0,0,0,0|1,0,0]=3 488 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [1,1,0,0,0,0|1,0,0]=3 489 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [1,1,0,0,0,0|1,0,0]=3 490 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [1,1,0,0,0,0|1,0,0]=3 491 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [1,1,0,0,0,0|1,0,0]=3 492 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [1,1,0,0,0,0|1,0,0]=3 493 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [1,1,0,0,0,0|1,0,0]=3 494 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [1,1,0,0,0,0|1,0,0]=3 495 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [1,1,0,0,0,0|1,0,0]=3 496 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.47 CCCCCC(=O)C(=O)C O589566 [1,1,0,0,0,0|1,0,1]=4 498 B9R0.47 CCCCCC(C(=O)O)N D137428 [1,1,0,0,0,0|0,0,0]=2 499 B9R0.47 CCCCCC(C(=O)O)N S193453 [1,1,0,0,0,0|0,0,0]=2 500 B9R0.47 CCCCCC(C)C(=O)O M102645 [1,1,0,0,0,0|0,0,0]=2 501 B9R0.47 CCSCCC(C(=O)O)N E117217 [1,1,0,0,0,0|1,0,0]=3 502 B9R0.47 CCSCCC(C(=O)O)N E117218 [1,1,0,0,0,0|1,0,0]=3 503 B9R0.48 CCOC(=O)CCC(=O)O M102994 [1,1,0,0,0,0|1,0,1]=4 504 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [1,1,0,0,0,0|1,0,1]=4 505 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [1,1,0,0,0,0|1,0,1]=4 506 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [1,1,0,0,0,0|1,0,1]=4 507 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [1,1,0,0,0,0|1,0,1]=4 508 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [1,1,0,0,0,0|1,0,1]=4 509 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [1,1,0,0,0,0|1,0,1]=4 510 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [1,1,0,0,0,0|1,0,1]=4 511 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [1,1,0,0,0,0|1,0,1]=4 512 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [1,1,0,0,0,0|1,0,1]=4 513 B9R0.55 CC(=O)CCCCC(=O)O O135071 [1,1,0,0,0,0|0,0,1]=3 514 B9R0.55 CC(=O)NCCCC(=O)O A169398 [1,1,0,0,0,0|1,0,1]=4 515 B9R0.55 CC(C)CCCCC(=O)O M304994 [1,1,0,0,0,0|0,0,0]=2 516 B11R0.6 CC(CCC=C(C)C)CC(=O)O C153558 [0,2,0,0,0,0|0,0,2]=4 517 B11R0.45 CCCC(CCOC(=O)C)SC M102993 [0,2,0,0,0,0|2,0,0]=4 518 B11R0.141 CCNC(=O)CCC(C(=O)O)N D349984 [0,2,0,0,0,0|1,0,1]=4 519 B11R0.141 CCNC(=O)CCC(C(=O)O)N L423183 [0,2,0,0,0,0|1,0,1]=4 520 B11R0.141 CCNC(=O)CCC(C(=O)O)N T106216 [0,2,0,0,0,0|1,0,1]=4 521 B11R0.141 CCNC(=O)CCC(C(=O)O)N T106217 [0,2,0,0,0,0|1,0,1]=4 522 B11R0.141 CCOC(=O)CCC(C(=O)O)N L299772 [0,2,0,0,0,0|1,0,1]=4 523 B11R0.2 CCCCCCC(CC(=O)O)O H275671 [0,2,0,0,0,0|0,0,0]=2 524 B11R0.2 CCCCCOC(=O)CC(=O)C A151226 [0,2,0,0,0,0|1,0,1]=4 525 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl S160984 [0,2,0,0,0,0|1,0,1]=4 526 B11R0.30 C(CCCC(=O)O)CCC(=O)O S105586 [0,2,0,0,0,0|0,0,1]=3 527 B11R0.30 CC(=O)NCCCCCC(=O)O A300350 [0,2,0,0,0,0|0,0,1]=3 528 B11R0.40 CCCCCCC#CC(=O)OC M113678 [0,2,0,0,0,0|0,0,1]=3 529 B11R0.40 CCCCCCC=CC(=O)OC M189707 [0,2,0,0,0,0|0,0,1]=3 530 B11R0.40 CCCCCCCCC(=O)CC U162908 [0,2,0,0,0,0|1,0,0]=3 531 B11R0.40 CCCCCCCCC(=O)OC M114396 [0,2,0,0,0,0|0,0,0]=2 532 B11R0.40 CCCCCCCCC(=O)OC M123199 [0,2,0,0,0,0|0,0,0]=2 533 B11R0.40 CCCCCCCCC(CC)O U162922 [0,2,0,0,0,0|1,0,1]=4 534 B11R0.40 CCCCCCCCC(CO)O D154360 [0,2,0,0,0,0|0,0,2]=4 535 B11R0.40 COC(=O)CCCCCCCBr M588500 [0,2,0,0,0,0|0,0,0]=2 536 B11R0.42 C(CCN=[N+]=[N-])CC(C(=O)O)N L288878 [0,2,0,0,0,0|2,0,0]=4 537 B11R0.42 CCCCCCOC(=O)C(=C)C H102084 [0,2,0,0,0,0|2,0,0]=4 538 B11R0.42 CCCCCCOC(=O)C(C)C H168865 [0,2,0,0,0,0|2,0,0]=4 539 B11R0.46 CCCCCC(C)CCC(=O)O M158084 [0,2,0,0,0,0|0,0,0]=2 540 B11R0.46 CCCCOC(=O)CCC(=O)C B119906 [0,2,0,0,0,0|1,0,1]=4 541 B11R0.111 CCC(C)CCCCCC(=O)O B300228 [0,2,0,0,0,0|0,0,0]=2 542 B11R0.111 COC(=O)CCCCCC(=O)O M588000 [0,2,0,0,0,0|0,0,1]=3 543 B11R0.148 C#CCOCCOCCC(=O)O P412490 [0,2,0,0,0,0|0,0,2]=4 544 B11R0.148 C(CCCCBr)CCCC(=O)O B123554 [0,2,0,0,0,0|0,0,0]=2 545 B11R0.148 C(CCCCN)CCCC(=O)O A586392 [0,2,0,0,0,0|0,0,0]=2 546 B11R0.148 C(CCCCO)CCCC(=O)O C133682 [0,2,0,0,0,0|0,0,0]=2 547 B11R0.148 C(CCCN)CCCN=C(N)N G412830 [0,2,0,0,0,0|2,0,0]=4 548 B11R0.148 C(COCCOCCBr)C(=O)O B339978 [0,2,0,0,0,0|1,0,0]=3 549 B11R0.148 C(COCCOCCN)C(=O)O A122168 [0,2,0,0,0,0|1,0,0]=3 550 B11R0.148 C=CCCCCCCCC(=O)O D155291 [0,2,0,0,0,0|0,0,0]=2 551 B11R0.148 CCCCCC=CCCC(=O)O D303268 [0,2,0,0,0,0|0,0,0]=2 552 B11R0.148 CCCCCCCC=CC(=O)O D303461 [0,2,0,0,0,0|0,0,0]=2 553 B11R0.148 CCCCCCCCCC(=O)C U109753 [0,2,0,0,0,0|1,0,0]=3 554 B11R0.148 CCCCCCCCCC(=O)C U109754 [0,2,0,0,0,0|1,0,0]=3 555 B11R0.148 CCCCCCCCCC(=O)C U109755 [0,2,0,0,0,0|1,0,0]=3 556 B11R0.148 CCCCCCCCCC(=O)Cl D101725 [0,2,0,0,0,0|1,0,0]=3 557 B11R0.148 CCCCCCCCCC(=O)O D109189 [0,2,0,0,0,0|0,0,0]=2 558 B11R0.148 CCCCCCCCCC(=O)O D109191 [0,2,0,0,0,0|0,0,0]=2 559 B11R0.148 CCCCCCCCCC(=O)O D109192 [0,2,0,0,0,0|0,0,0]=2 560 B11R0.148 CCCCCCCCCC(=O)O D109193 [0,2,0,0,0,0|0,0,0]=2 561 B11R0.148 CCCCCCCCCC(=O)O D423444 [0,2,0,0,0,0|0,0,0]=2 562 B11R0.148 CCCCCCCCCC(=O)[O-] S161316 [0,2,0,0,0,0|0,0,1]=3 563 B11R0.148 CCCCCCCCCC(C)O U162921 [0,2,0,0,0,0|1,0,1]=4 564 B11R0.148 CCCCCCCCCC(C)O U418605 [0,2,0,0,0,0|1,0,1]=4 565 B11R0.148 CCCCCCCCOC(=O)C O102935 [0,2,0,0,0,0|1,0,0]=3 566 B11R0.148 CCCCCCCCOC(=O)Cl N158924 [0,2,0,0,0,0|1,0,0]=3 567 B11R0.148 CCCCOCCOCC(=O)O B483984 [0,2,0,0,0,0|0,0,0]=2 568 B11R0.148 CCOCCOCCOC(=O)C D107572 [0,2,0,0,0,0|2,0,0]=4 569 B11R0.148 COCCOCCOCC(=O)O M158391 [0,2,0,0,0,0|1,0,0]=3 570 B11R0.148 COCCOCCOCC(=O)O M406724 [0,2,0,0,0,0|1,0,0]=3 571 B11R0.159 CCCCCCCCP(=O)(O)O N159772 [0,2,0,0,0,0|1,0,0]=3 572 B11R0.159 CCCCCCCCS(=O)(=O)Cl O134437 [0,2,0,0,0,0|1,0,1]=4 573 B11R0.159 CCCCCCCCS(=O)(=O)[O-] O182675 [0,2,0,0,0,0|1,0,1]=4 574 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S108926 [0,2,0,0,0,0|1,0,1]=4 575 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S108927 [0,2,0,0,0,0|1,0,1]=4 576 B11R0.176 C(CCC(=O)O)CC(CCS)S D303763 [0,2,0,0,0,0|0,0,0]=2 577 B11R0.176 CCOC(=O)CCCCC(=O)O A101023 [0,2,0,0,0,0|0,0,1]=3 578 B11R0.77 CCCCCC(C=C)OC(=O)C O168963 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.154 CCCCCC(CC(=O)OC)O M275874 [0,2,0,0,0,0|0,0,0]=2 580 B11R0.31 C(CCC(=O)O)CCP(=O)(O)O P333617 [0,2,0,0,0,0|2,0,0]=4 581 B11R0.31 CC(C)(C)CCCCCC(=O)O N192441 [0,2,0,0,0,0|0,0,0]=2 582 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,2,0,0,0,0|1,0,1]=4 583 B11R0.106 COC(=O)CCCCC(=O)OC D103057 [0,2,0,0,0,0|1,0,1]=4 584 B11R0.106 COC(=O)CCCCC(=O)OC D103058 [0,2,0,0,0,0|1,0,1]=4 585 B11R0.106 COC(=O)CCCCC(=O)OC D103059 [0,2,0,0,0,0|1,0,1]=4 586 B11R0.106 COC(=O)CCCCC(=O)OC D487620 [0,2,0,0,0,0|1,0,1]=4 587 B11R0.4 CCCCCCCC(=O)CCC U162909 [0,2,0,0,0,0|1,0,0]=3 588 B11R0.4 CCCCCCCC(=O)OC=C V162947 [0,2,0,0,0,0|0,0,0]=2 589 B11R0.4 CCCCCCCC(=O)OCC E101042 [0,2,0,0,0,0|0,0,0]=2 590 B11R0.4 CCCCCCCC(=O)OCC E101043 [0,2,0,0,0,0|0,0,0]=2 591 B11R0.4 CCCCCCCC(CCC)O U162923 [0,2,0,0,0,0|1,0,1]=4 592 B11R0.4 CCCCCCOC(=O)CCC H156884 [0,2,0,0,0,0|2,0,0]=4 593 B11R0.4 CCOC(=O)CCCCCCBr E133361 [0,2,0,0,0,0|1,0,0]=3 594 B11R0.4 CCOC(=O)CCCCCCN A183507 [0,2,0,0,0,0|1,0,0]=3 595 B11R0.124 CCCCCCCC(OC)OC N159858 [0,2,0,0,0,0|0,0,2]=4 596 B11R0.142 CCCCCCC(C(=O)OC)Br M193859 [0,2,0,0,0,0|0,0,0]=2 597 B11R0.164 CCCCC(CC)CCC(=O)O E102646 [0,2,0,0,0,0|0,0,0]=2 598 B11R0.164 CCCCC(CC)COC(=O)C E100741 [0,2,0,0,0,0|2,0,0]=4 599 B11R0.164 CCCCC(CC)COC(=O)Cl E134374 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,0,0,1,0,0|1,0,0]=3 601 B9R1.5 C1CCNC(=O)C(C1)N S135609 [1,0,0,1,0,0|2,0,0]=4 602 B9R1.5 C1CCNC(=O)C(C1)N S588137 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.5 CN1CCCCCC1=O N159776 [1,0,0,1,0,0|1,0,0]=3 604 B9R1.8 C#CCC1CCCCC1 C111193 [1,0,0,1,0,0|1,0,1]=4 605 B9R1.8 C1CCC(CC1)CC#N C589137 [1,0,0,1,0,0|1,0,1]=4 606 B9R1.8 C1CCC(CC1)CCBr B113782 [1,0,0,1,0,0|1,0,1]=4 607 B9R1.8 C1CCC(CC1)CCN C153966 [1,0,0,1,0,0|1,0,1]=4 608 B9R1.8 C1CCC(CC1)CCO C153306 [1,0,0,1,0,0|0,0,1]=3 609 B9R1.8 C1CCC(CC1)NC=O N159269 [1,0,0,1,0,0|1,0,0]=3 610 B9R1.8 C1CCN(CC1)CCO H113280 [1,0,0,1,0,0|1,0,1]=4 611 B9R1.8 C1CCNC(C1)CCO P160104 [1,0,0,1,0,0|1,0,1]=4 612 B9R1.8 C1CCNC(C1)CCO R195067 [1,0,0,1,0,0|1,0,1]=4 613 B9R1.8 C1CCNC(C1)CCO S186630 [1,0,0,1,0,0|1,0,1]=4 614 B9R1.8 C1CCNC(C1)CCO S189442 [1,0,0,1,0,0|1,0,1]=4 615 B9R1.8 C1CNCCC1CCO P121582 [1,0,0,1,0,0|1,0,1]=4 616 B9R1.8 C1CNCCC1CCO P590668 [1,0,0,1,0,0|1,0,1]=4 617 B9R1.8 C=CCC1CCCCC1 A151092 [1,0,0,1,0,0|1,0,0]=3 618 B9R1.8 C=COC1CCCCC1 C135586 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.8 CCCC1CCCCC1 P160285 [1,0,0,1,0,0|1,0,1]=4 620 B9R1.12 C1CCC(C1)CCCO C348026 [1,0,0,1,0,0|0,0,1]=3 621 B9R1.12 C1CCN(C1)CCCO P191873 [1,0,0,1,0,0|1,0,1]=4 622 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [1,0,0,1,0,0|1,0,1]=4 623 B9R1.15 CCC1CCCCC1C E156070 [1,0,0,1,0,0|1,0,1]=4 624 B9R1.15 CCC1CCCCC1O E156074 [1,0,0,1,0,0|0,0,1]=3 625 B9R1.15 CN1CCCCC1CO M106741 [1,0,0,1,0,0|1,0,1]=4 626 B9R1.15 COC1CCCCC1=O M158813 [1,0,0,1,0,0|1,0,0]=3 627 B9R1.33 C1CC(=O)N(C1)CCO H124555 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.33 C1CC(=O)N(C1)CCO H299071 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.33 CN1CCCC1CCO M102052 [1,0,0,1,0,0|1,0,1]=4 630 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|0,0,0]=2 631 B9R1.50 C1CCCC(CCC1)N C153969 [1,0,0,1,0,0|1,0,1]=4 632 B9R1.50 C1CCCC(CCC1)O C153307 [1,0,0,1,0,0|0,0,1]=3 633 B9R1.50 C1CCCNC(=O)CC1 O159930 [1,0,0,1,0,0|1,0,0]=3 634 B9R1.83 CCCCCCC1CO1 E113793 [1,0,0,1,0,0|0,0,1]=3 635 B9R1.83 CCCCOCC1CO1 B152235 [1,0,0,1,0,0|1,0,1]=4 636 B9R1.89 C1CCCC(=NO)CC1 C153672 [1,0,0,1,0,0|1,0,1]=4 637 B9R1.89 C1CCNCC(C1)CO A177665 [1,0,0,1,0,0|1,0,1]=4 638 B9R1.6 B(C1CCCCC1)(O)O C120310 [1,0,0,1,0,0|1,0,1]=4 639 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [1,0,0,1,0,0|0,0,2]=4 640 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [1,0,0,1,0,0|0,0,2]=4 641 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [1,0,0,1,0,0|0,0,2]=4 642 B9R1.6 C1CC(CNC1)C(=O)N P121557 [1,0,0,1,0,0|2,0,0]=4 643 B9R1.6 C1CC(CNC1)C(=O)O P113283 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.6 C1CC(CNC1)C(=O)O P119071 [1,0,0,1,0,0|1,0,0]=3 645 B9R1.6 C1CC(CNC1)C(=O)O P119075 [1,0,0,1,0,0|1,0,0]=3 646 B9R1.6 C1CC(CNC1)C(=O)O R195578 [1,0,0,1,0,0|1,0,0]=3 647 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [1,0,0,1,0,0|0,0,2]=4 648 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [1,0,0,1,0,0|1,0,0]=3 649 B9R1.6 C1CCC(CC1)C(=O)N C131942 [1,0,0,1,0,0|1,0,0]=3 650 B9R1.6 C1CCC(CC1)C(=O)O C110756 [1,0,0,1,0,0|0,0,0]=2 651 B9R1.6 C1CCN(CC1)C(=O)Cl P468726 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.6 C1CCNC(C1)C(=O)N P160119 [1,0,0,1,0,0|2,0,0]=4 653 B9R1.6 C1CCNC(C1)C(=O)O D331240 [1,0,0,1,0,0|1,0,0]=3 654 B9R1.6 C1CCNC(C1)C(=O)O D358401 [1,0,0,1,0,0|1,0,0]=3 655 B9R1.6 C1CCNC(C1)C(=O)O D424577 [1,0,0,1,0,0|1,0,0]=3 656 B9R1.6 C1CCNC(C1)C(=O)O H100528 [1,0,0,1,0,0|1,0,0]=3 657 B9R1.6 C1CCNC(C1)C(=O)O P101393 [1,0,0,1,0,0|1,0,0]=3 658 B9R1.6 C1CCNC(C1)C(=O)O P106214 [1,0,0,1,0,0|1,0,0]=3 659 B9R1.6 C1CCNC(C1)C(=O)O S136371 [1,0,0,1,0,0|1,0,0]=3 660 B9R1.6 C1CCNC(C1)C(=O)O S192036 [1,0,0,1,0,0|1,0,0]=3 661 B9R1.6 C1CNC(CN1)C(=O)O P119067 [1,0,0,1,0,0|2,0,0]=4 662 B9R1.6 C1CNC(CN1)C(=O)O P119070 [1,0,0,1,0,0|2,0,0]=4 663 B9R1.6 C1CNC(CN1)C(=O)O P124229 [1,0,0,1,0,0|2,0,0]=4 664 B9R1.6 C1CNC(CN1)C(=O)O P124230 [1,0,0,1,0,0|2,0,0]=4 665 B9R1.6 C1CNCCC1C(=O)N P122896 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.6 C1CNCCC1C(=O)O I109586 [1,0,0,1,0,0|1,0,0]=3 667 B9R1.6 C1COC(CO1)C(=O)O D187857 [1,0,0,1,0,0|2,0,0]=4 668 B9R1.6 C1COC(CO1)C(=O)O S587772 [1,0,0,1,0,0|2,0,0]=4 669 B9R1.6 C1COCC(N1)C(=O)O M194498 [1,0,0,1,0,0|2,0,0]=4 670 B9R1.6 C1COCCC1C(=O)Cl T170160 [1,0,0,1,0,0|2,0,0]=4 671 B9R1.6 C1COCCC1C(=O)O T161847 [1,0,0,1,0,0|1,0,0]=3 672 B9R1.6 C1CSCCC1C(=O)O T178063 [1,0,0,1,0,0|1,0,0]=3 673 B9R1.6 CC(=O)C1CCCCC1 C139296 [1,0,0,1,0,0|1,0,0]=3 674 B9R1.6 CC(=O)N1CCCCC1 A151604 [1,0,0,1,0,0|2,0,0]=4 675 B9R1.6 CC(C1CCCCC1)O C166344 [1,0,0,1,0,0|1,0,1]=4 676 B9R1.7 CCCC1CCC(=O)O1 H111340 [1,0,0,1,0,0|0,0,0]=2 677 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [1,0,0,1,0,0|0,0,2]=4 678 B9R1.13 C1CC(NC1)CC(=O)O L465252 [1,0,0,1,0,0|1,0,0]=3 679 B9R1.13 C1CC(OC1)CC(=O)O T354856 [1,0,0,1,0,0|1,0,0]=3 680 B9R1.13 C1CCC(C1)CC(=O)O C113786 [1,0,0,1,0,0|0,0,0]=2 681 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.13 C1CCN(C1)CC(=O)O P345179 [1,0,0,1,0,0|1,0,0]=3 684 B9R1.41 C1CNC(C1O)C(=O)O S176477 [1,0,0,1,0,0|2,0,0]=4 685 B9R1.41 CN1CCCC1C(=O)O M101560 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.41 CN1CCCC1C(=O)O N170507 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [1,0,0,1,0,0|1,0,1]=4 688 B11R1.90 C1CC(=O)N(C1)CCC(=O)O O347695 [0,1,0,1,0,0|1,0,1]=4 689 B11R1.24 CCCCC1CCCC(=O)O1 N117517 [0,1,0,1,0,0|0,0,0]=2 690 B11R1.27 CCCCCC1CCC(=O)O1 N101430 [0,1,0,1,0,0|0,0,0]=2 691 B11R1.91 C1CCC(CC1)C=CC(=O)O E589499 [0,1,0,1,0,0|0,0,1]=3 692 B11R1.91 C1CCC(CC1)CCC(=O)O C106974 [0,1,0,1,0,0|0,0,0]=2 693 B11R1.91 C1CN(CCN1)CCC(=O)O P169191 [0,1,0,1,0,0|1,0,0]=3 694 B11R1.91 C1COCCN1CCC(=O)O M304219 [0,1,0,1,0,0|1,0,0]=3 695 B11R1.99 CCCCCCCCC1CO1 E156384 [0,1,0,1,0,0|1,0,1]=4 696 B11R1.230 CCCCC1C(CC(=O)O1)C B152725 [0,1,0,1,0,0|0,0,0]=2 697 B11R1.928 C1CCC(CC1)(CC(=O)O)N A169998 [0,1,0,1,0,0|0,0,0]=2 698 B11R1.509 C1CCC(CC1)NS(=O)(=O)O C129435 [0,1,0,1,0,0|2,0,0]=4 699 B11R1.20 C1CC(=O)CCC1CC(=O)O O589355 [0,1,0,1,0,0|0,0,1]=3 700 B11R1.20 C1CC(CCC1CC(=O)O)O H404576 [0,1,0,1,0,0|0,0,0]=2 701 B11R1.20 CC(=O)NC1CCC(CC1)O A151058 [0,1,0,1,0,0|2,0,0]=4 702 B11R1.20 CN1CCN(CC1)CC(=O)O M193870 [0,1,0,1,0,0|2,0,0]=4 703 B11R1.1 CCCCC1CCC(CC1)O B134826 [0,1,0,1,0,0|1,0,1]=4 704 B11R1.1 CCCCN1CCC(=O)CC1 B183016 [0,1,0,1,0,0|2,0,0]=4 705 B11R1.25 COC(=O)CNC1CCCC1 M191861 [0,1,0,1,0,0|1,0,0]=3 706 B11R1.40 C=CC(=O)OC1CCCCC1 C154000 [0,1,0,1,0,0|2,0,0]=4 707 B11R1.40 COC(=O)CC1CCCCC1 M133230 [0,1,0,1,0,0|0,0,0]=2 708 B11R1.40 COC(=O)CC1CCCCC1 M491852 [0,1,0,1,0,0|0,0,0]=2 709 B11R1.40 COC(=O)CC1CCNCC1 M121568 [0,1,0,1,0,0|1,0,0]=3 710 B11R1.35 C1CCC(C1)CC(C(=O)O)N C188895 [0,1,0,1,0,0|0,0,0]=2 711 B11R1.36 C1CCC(CC1)C(=O)C(=O)O C176484 [0,1,0,1,0,0|0,0,1]=3 712 B11R1.36 C1CCC(CC1)C(C(=O)O)N C115877 [0,1,0,1,0,0|0,0,0]=2 713 B11R1.36 C1CCC(CC1)C(C(=O)O)N C119123 [0,1,0,1,0,0|0,0,0]=2 714 B11R1.36 C1CCC(CC1)C(C(=O)O)O C348615 [0,1,0,1,0,0|0,0,0]=2 715 B11R1.36 CC(C1CCCCC1)C(=O)O C589625 [0,1,0,1,0,0|0,0,0]=2 716 B11R1.178 CC(=O)N1CCCC1C(=O)O A109365 [0,1,0,1,0,0|1,0,1]=4 717 B11R1.178 CC(=O)N1CCCC1C(=O)O A117204 [0,1,0,1,0,0|1,0,1]=4 718 B11R1.178 CC(=O)N1CCCC1C(=O)O A179290 [0,1,0,1,0,0|1,0,1]=4 719 B11R2.1 C1CNCC2C1CNC2=O A177765 [0,0,0,2,0,0|2,0,0]=4 720 B11R2.10 C1CCC2C(C1)NC(=O)N2 C341579 [0,0,0,2,0,0|2,0,0]=4 721 B11R2.703 C1CNCCC12CC(=O)C2 A173831 [0,0,0,2,0,0|2,0,0]=4 722 B11R2.202 C1CC2C(C1)C(=O)OC2=O I169885 [0,0,0,2,0,0|1,0,1]=4 723 B11R2.845 C1C2CC(C1C=C2)C(=O)O E469877 [0,0,0,2,0,0|0,0,2]=4 724 B11R2.845 C1C2CC(C1C=C2)C(=O)O N111450 [0,0,0,2,0,0|0,0,2]=4 725 B11R2.845 C1CC2CC1CC2C(=O)O B590261 [0,0,0,2,0,0|0,0,0]=2 726 B11R2.432 CN1C2CCC1CC(=O)C2 T100904 [0,0,0,2,0,0|2,0,0]=4 727 B11R2.432 CN1C2CCC1CC(=O)C2 T424557 [0,0,0,2,0,0|2,0,0]=4