0 B7R0.1 BrCCCCCC#N PI-21504 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C(CCCBr)CCO PI-39099 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C(CCCCl)CCCl PI-44616 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C(CCCS)CCO PI-40491 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C(CCCS)CCS PI-35928 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C=CCCCN=C=S PI-37124 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 CCCCCCCBr PI-44628 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.1 CCCCCN=C=O PI-11407 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 CCCCNCCN PI-15624 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 CCCSSCCC PI-48483 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 COCCCCCBr PI-50168 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 OCCCCCCCl PI-37141 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 OCCCCCCN PI-40365 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 OCCCCOC=C PI-12738 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 BrCCCCC#N PI-22651 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 BrCCCCC=C PI-39147 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 BrCCOCCBr PI-13583 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 BrCC[NH2+]CCBr PI-37244 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 C#CCCCCO PI-40904 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 C(CCN)CCN PI-46858 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 C(CCO)CCCl PI-44261 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 C(CCS)CCS PI-11006 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 C(COCCN)N PI-47125 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 C=CCNCC=C PI-47080 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.6 CCNCCC#N PI-19315 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 ClCCCCC#C PI-19028 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 ClCCCCC=O PI-34745 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 ClCCCCCBr PI-10753 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 ClCCNCCCl PI-37373 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.4 CCCCCC#CCBr PI-22217 [0,1,0,0,0,0|0,0,3]=4 41 B8R0.4 CCCCCC=CCO PI-26231 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.4 CCCCCCCCBr PI-44631 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.4 CCCCCCCCCl PI-44615 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.4 CCCCC\C=C\C=O PI-38486 [0,1,0,0,0,0|0,0,1]=2 45 B8R0.4 CCCCNCCC#N PI-22875 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.4 CCCCSCCCC PI-48485 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.4 CCOCCOCCBr PI-50169 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.4 COCCNCCOC PI-42682 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.4 OCCCCCCC#C PI-40903 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.6 CCCCCC(C=C)O PI-39433 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.7 CC(=CCCCC=C)C PI-39645 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.7 CC(=O)OCCCSC PI-35854 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.7 CC(NCCCCO)C PI-39829 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.7 CCOCCOC(C)=O PI-12911 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.7 NC(NCCCCN)=N PI-42210 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 BrCC1CCCCC1 PI-33021 [0,0,0,1,0,0|1,0,1]=3 72 B8R1.2 BrCC1CCCOC1 PI-39467 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 BrCC1CCNCC1 PI-36265 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 BrCC1CCOCC1 PI-14484 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.2 C#CC1CCOCC1 PI-45406 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.2 C(C1CCOCC1)O PI-40556 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 C1CC(CNC1)CN PI-11064 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 C1CC(CNC1)CO PI-11066 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 C1CC(OC=C1)CN PI-31375 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,0,0,1,0,0|1,0,1]=3 83 B8R1.2 C1CCC(CC1)CI PI-44086 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.2 C1CCC(CC1)NN PI-17833 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.2 C1CCC(CC1)NO PI-17940 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.2 C1CCC(CC1)ON PI-47245 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.2 C1CCNC(C1)CO PI-11061 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.2 C1CNCCC1C=O PI-13255 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 C1CNCCC1CN PI-11070 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 C1CNCCC1CO PI-31327 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.2 CCC1CNCCN1 PI-40004 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 CNC1CCCNC1 PI-11067 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 CNC1CCNCC1 PI-43342 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 CNC1CCNCC1 PI-43343 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CNC1CCOCC1 PI-38449 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 COC1CCC=CO1 PI-42091 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 COC1CCCNC1 PI-36380 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 COC1CCCNC1 PI-43328 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 COC1CCNCC1 PI-39354 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 COC1CCNCC1 PI-39359 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 N#CC1CCNCC1 PI-25574 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 N#CC1CCOCC1 PI-39254 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 NCC1CCCCC1 PI-34207 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.2 NCC1CCCCN1 PI-11059 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 NCC1CCOCC1 PI-14113 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 NOC1CCCCO1 PI-31842 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 O=CC1CCCCC1 PI-11615 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.2 OCC1CCCCC1 PI-15325 [0,0,0,1,0,0|1,0,1]=3 114 B8R1.2 OCC1CCNCC1 PI-11073 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.5 CC1=NCCCN1C PI-44800 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.5 CC1=NCCCN1C PI-44822 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|1,0,1]=3 123 B8R1.5 CC1CNCCC1=O PI-43304 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.5 CC1CNCCC1O PI-43324 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.5 NC1CCCCC1O PI-17286 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.5 O=C1CCCCC1=O PI-20909 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.5 O=C1CCOCC1F PI-39023 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 O=C1NCCCC1O PI-41426 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.8 C1CCN(C1)CCO PI-49853 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.8 CNCC1CCCO1 PI-45431 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.8 ClCCN1CCCC1 PI-16416 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.11 C1CC(C(=N)C1)C#N PI-48395 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.11 CCN1CCCC1=O PI-12779 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.11 CN1CCCC1CO PI-28906 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.36 C1CC1NCCC#N PI-17388 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.36 CCCNCC1CC1 PI-13558 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.49 C/1=C/CC\C=C/CC1 PI-42262 [0,0,0,1,0,0|0,0,2]=3 157 B8R1.49 C1CC=CCCC=C1 PI-35837 [0,0,0,1,0,0|0,0,2]=3 158 B8R1.49 C1CC=CCCC=C1 PI-39260 [0,0,0,1,0,0|0,0,2]=3 159 B8R1.49 C1CC=CCCC=C1 PI-42592 [0,0,0,1,0,0|0,0,2]=3 160 B8R1.49 C1CC=CCCC=C1 PI-42620 [0,0,0,1,0,0|0,0,2]=3 161 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.2 C(CCBr)CCl PI-15812 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.2 C(CCBr)CN PI-46910 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.2 C(CCS)CS PI-11005 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.2 FCCCCBr PI-14440 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.4 CCCCCB(O)O PI-37261 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|0,0,1]=3 189 B7R0.4 CCCCNC(=S)N PI-23056 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.4 CN(C)CCCCN PI-23376 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.7 C=CCC(CC=C)O PI-46529 [1,1,0,0,0,0|0,0,2]=4 196 B7R0.7 CC(CCBr)CCBr PI-25581 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|0,0,1]=3 198 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.5 CCCCCC(C)N=C=S PI-15991 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.2 B(C=CCCCCC)(O)O PI-25691 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,2,0,0,0,0|1,0,0]=3 206 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,2,0,0,0,0|1,0,0]=3 208 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,2,0,0,0,0|1,0,0]=3 211 B9R0.2 NCCCCCNC(=N)N PI-22838 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.45 C#CCCCCCCCO PI-40905 [0,2,0,0,0,0|0,0,2]=4 214 B9R0.45 C(CCCC#N)CCC#N PI-44148 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.45 C(CCCCCl)CCCCl PI-10977 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.45 C(CCCCI)CCCI PI-46866 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.45 C(CCCCN)CCCN PI-44644 [0,2,0,0,0,0|0,0,2]=4 218 B9R0.45 C(CCCCO)CCCO PI-16494 [0,2,0,0,0,0|0,0,2]=4 219 B9R0.45 C(CCNCCC#N)CN PI-36759 [0,2,0,0,0,0|1,0,1]=4 220 B9R0.45 C=CCCCCCCCBr PI-37398 [0,2,0,0,0,0|0,0,0]=2 221 B9R0.45 CCCCC#CCCCCl PI-12837 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.45 CCCCCCC=CCO PI-46869 [0,2,0,0,0,0|0,0,0]=2 223 B9R0.45 CCCCCCCCC#C PI-12874 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.45 CCCCCCCN=C=S PI-15990 [0,2,0,0,0,0|0,0,2]=4 225 B9R0.45 CCCCNCCCCO PI-47099 [0,2,0,0,0,0|0,0,2]=4 226 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,2,0,0,0,0|0,0,2]=4 227 B9R0.45 NCCCNCCCCN PI-27634 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.45 OCCCCCCCCBr PI-41510 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.46 CCCCCCC(CO)O PI-44204 [0,2,0,0,0,0|0,0,2]=4 232 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.38 CCCCCCS(=O)(=O)Cl PI-20719 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.38 CCCCCCS(=O)(=O)[O-] PI-36859 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.38 CCCCCC[Si](Cl)(Cl)C PI-38996 [0,2,0,0,0,0|0,1,1]=4 245 B7R1.1 C1CC(NC1)CN PI-35678 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 C1CC(OC1)CBr PI-30089 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.1 C1CCC(C1)ON PI-47243 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 C1CNCC1CO PI-40189 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 C1CNCC1CO PI-40190 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 C1COCC1CBr PI-42703 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 C1COCC1CCl PI-42702 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.1 C1COCC1CO PI-41224 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.1 ICC1COCC1 PI-42704 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.1 NNC1CCCC1 PI-36366 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.1 NNC1CCCC1 PI-38997 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 BrC1CCCOC1 PI-35181 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.3 BrC1CCOCC1 PI-35207 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.3 C1CC(CNC1)Br PI-13262 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.3 C1CC(CNC1)F PI-48937 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.3 C1CC(CNC1)N PI-11065 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 C1CC(CNC1)N PI-27492 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.3 C1CC(CNC1)O PI-10129 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.3 C1CC(CNC1)O PI-11069 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.3 C1CC(CNC1)O PI-31252 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 C1CCNC(C1)Br PI-13261 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 C1CCNC(C1)Cl PI-13259 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 C1CCNC(C1)O PI-11062 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 C1CNCCC1Br PI-34736 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.3 C1CNCCC1Cl PI-13260 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 C1CNCCC1F PI-48939 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 C1CNCCC1N PI-12453 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 C1CNCCC1N PI-43332 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 C1CNCCC1O PI-43307 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 C1COCCC1Cl PI-45093 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 C1COCCC1I PI-45407 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 C=C1CCNCC1 PI-41106 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|0,0,1]=3 291 B7R1.3 CC1=CCOCC1 PI-42722 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.3 CC1CCOCO1 PI-47110 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 CC1CNCCN1 PI-31297 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 CC1CNCCN1 PI-33175 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 CC1CNCCO1 PI-34764 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 CC1SCCCS1 PI-25717 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.3 C[C@H]1CNCCO1 PI-37360 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 NC1CCCCN1 PI-13252 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 NC1CCCNC1 PI-13253 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 NC1CCOCC1 PI-14135 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 NC1CCOCC1 PI-39008 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 O1CCCC(C1)O PI-42688 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 OC1CCNCC1 PI-31377 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 OC1CCOCC1 PI-37145 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.3 O[C@H]1CCCNC1 PI-10130 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 CC1C(CCO1)S PI-14229 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.6 NCCC1COC1 PI-36429 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.6 OCCC1COC1 PI-36428 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.7 C=CCCC1CO1 PI-41845 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.2 C1CNC(CC1C=O)Br PI-13267 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.8 BrCCC1CCCCC1 PI-17338 [0,1,0,1,0,0|0,0,2]=4 334 B9R1.8 C#CCN1CCCCC1 PI-43107 [0,1,0,1,0,0|0,0,2]=4 335 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,1,0,1,0,0|0,0,2]=4 336 B9R1.8 C1CCC(CC1)OCCl PI-47095 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.8 C1CCN(CC1)CCCl PI-16415 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.8 C1CNCCC1CCO PI-33986 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.8 C1CNCCC1CCO PI-49464 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.8 C1COCCC1CC=O PI-44982 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.8 C1COCCC1CCBr PI-45411 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.8 C=CCN1CCNCC1 PI-27163 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.8 CCCC1CCCCN1 PI-18460 [0,1,0,1,0,0|0,0,2]=4 344 B9R1.8 COCC1CCCCN1 PI-43215 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.8 COCC1CCCCN1 PI-43325 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.8 COCC1CCNCC1 PI-43195 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.8 COCC1CCNCC1 PI-43327 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.8 NCCC1CCOCC1 PI-10590 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.12 CCCCC1=NC=CN1 PI-31818 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.15 CN1CCCCC1CO PI-43934 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.15 COC1CCCCC1=O PI-28180 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.33 C=CCN1CCCC1=O PI-48184 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.33 CN1CCCC1CCN PI-32492 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.33 COCC1CCCN1N PI-30883 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.33 COC[C@@H]1CCCN1N PI-30759 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.33 ClCCC1CCCN1C PI-16414 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.33 OCCC1CCCN1C PI-32493 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.49 CN1CCCC(CC1)O PI-48280 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.14 CCN1CCCC1CN PI-11278 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.14 CCN1CCCC1CN PI-31113 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.14 NC[C@H]1CCCN1CC PI-32820 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.16 C#CCCCC1CC1O PI-42403 [0,1,0,1,0,0|0,0,2]=4 377 B9R1.83 C=CCCCCC1OC1 PI-19272 [0,1,0,1,0,0|0,0,0]=2 378 B9R1.89 C1CNCCN(C1)C=O PI-34065 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.1 COC1CCC(CC1)O PI-44528 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.118 C#CC1(CCCCC1)O PI-43968 [0,1,0,1,0,0|0,0,2]=4 383 B9R1.118 C1CCC(CC1)(CN)O PI-17134 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.118 CC1(CCCCC1)CBr PI-36358 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.118 CCC1(O)CCCCC1 PI-29293 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.6 C1CNCCC1C(=O)O PI-10271 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.6 C1CNCCC1C(=O)O PI-32117 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.6 C1COCCC1C(=O)N PI-40557 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.6 C1CSCCC1C(=O)O PI-48819 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,1,0,1,0,0|0,0,2]=4 398 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.6 CC(C1CCOCC1)=O PI-42683 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.6 OB(C1CCCCC1)O PI-25580 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.40 CC1(CNCCC1=O)C PI-50037 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.41 CC(C)N1CCCC1=O PI-50152 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,1,0,1,0,0|2,0,0]=4 419 B9R2.39 C1C2CC(C1C=C2)O PI-39596 [0,0,0,2,0,0|1,0,0]=3 420 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,2,0,0|1,0,1]=4 421 B9R2.3 C1CC2C(C1)CNC2 PI-10398 [0,0,0,2,0,0|1,0,1]=4