0 B7R0.1 BrCCCCCC#N AK-81731 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 BrCCNCCCN AK-32244 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 C(CCCBr)CCBr AK-48407 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 C(CCCCC#C)O AK-30082 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C=CCCCCCBr AK-40908 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C=CCCCCNC AK142907 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 COCCOCCN AK-67670 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 ICCCCCCI AK165087 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 NCCCCCCN AK129024 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 NCCCNCCO AK-50569 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 NCCSSCCN AK-47593 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.1 NCC[Se][Se]CCN AK327611 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.1 OCCCCCCBr AK110830 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 OCCCCCCCl AK-47999 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 OCCCCCCN AK-84482 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 BrCCNCCBr AK-72773 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.6 C=CCCCCBr AK-48086 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.6 ClCCCCC=O AK110863 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 ClCCNCCCl AK-44109 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 ClCCOCCO AK114565 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.6 O=CCCCCO AK-40206 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.4 BrCCCCCCCBr AK109234 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.4 C(CCCCO)CCBr AK-41195 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.4 C=CCCCCCCCl AK164503 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.4 OCCCCCCC#C AK-48557 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.4 OCCCCCCCO AK-44723 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.4 OCCCNCCCO AK-33226 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.6 C=CC(O)CCCCC AK164470 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.7 CC(O)CCCCCC AK113715 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 BrCC1CCCCC1 AK-34379 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 BrCC1CCOCC1 AK-33044 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 C(C1CCOCC1)O AK-25438 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.2 C1C(OCCC1)ON AK-26246 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.2 CNC1CCCNC1 AK-39351 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.2 ClCC1NCCCC1 AK-78057 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.2 ICC1CCCCC1 AK126313 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.2 ICC1CCOCC1 AK-51037 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 N#CC1CCCCC1 AK117259 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 N#CC1CNCCO1 AK-77728 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.2 NCC1CCOCC1 AK-33095 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 NCC1OCCOC1 AK143280 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.2 NNC1CCCCC1 AK-51695 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 OCC1CCC=CC1 AK-63968 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.2 OCC1CCCCC1 AK-47687 [0,0,0,1,0,0|1,0,0]=2 66 B8R1.2 OCC1CNCCC1 AK-26981 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.2 OCC1CNCCO1 AK-30231 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.2 OCC1NCCCC1 AK-47618 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.2 OCC1NCCNC1 AK-42128 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.2 ONC1CCCCC1 AK113259 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.2 ONC1CCCCC1 AK118974 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.5 BrC1CCCCC1Br AK110889 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 CC1CNCCC1O AK-34735 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 CC1CNCCC1O AK-77366 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.5 NC1C(F)COCC1 AK-68595 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 OC1C(N)CCCC1 AK116055 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,0,0,1,0,0|1,0,0]=2 98 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.8 BrCCN1CCCC1 AK-87121 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.8 C#CCN1CCCC1 AK172817 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.8 ClCCN1CCCC1 AK-36224 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.8 N#CCC1CCCO1 AK-77313 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.8 N#CCN1CCCC1 AK116272 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.8 N#CC[NH+]1CCCC1 AK159463 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|2,0,1]=4 123 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|0,0,2]=4 125 B5R0.2 CNOCCN AK155896 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 N#CCCOC AK-46138 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.3 CCCCC(O)CO AK161793 [1,1,0,0,0,0|0,0,0]=2 135 B7R0.3 N[C@@H](CCSC)CO AK-81277 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.4 CC(O)CNCCO AK142435 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.4 CC(OCCCCl)=O AK167628 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCB(O)O AK-46118 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.4 COCCCC(O)=O AK-76729 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 NC(OCCCC)=O AK116656 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.4 O=C(O)CCCCBr AK113954 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 O=C(O)CCCCCl AK139351 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.4 O=C(O)CCCCO AK198817 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.7 CCOC(=O)CCBr AK-76993 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.7 CCOC(=O)CCO AK-41251 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.7 O=C(OCC)CCN AK-49791 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.7 O=C(OCC)CNC AK-44190 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.2 CCCCCCCB(O)O AK145619 [0,2,0,0,0,0|1,0,0]=3 152 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.45 BrCCCCCCCCBr AK-48263 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.45 C#CCCCCCCCO AK117239 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.45 C=CCCCCCCCBr AK161876 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.45 C=CCCCCCCCCl AK164575 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.45 CCCCCCCCCBr AK164444 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.45 ClCCOCCOCCO AK113441 [0,2,0,0,0,0|0,0,0]=2 161 B9R0.45 NCCOCCOCC#C AK192668 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.45 NCCOCCOCCO AK105247 [0,2,0,0,0,0|0,0,0]=2 163 B9R0.45 OCCCCCCCCBr AK113930 [0,2,0,0,0,0|1,0,0]=3 164 B9R0.45 OCCOCCOCCO AK-72565 [0,2,0,0,0,0|0,0,0]=2 165 B9R0.46 CCC(C)CCCCCO AK-82137 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.46 CCCCCCC(C)CO AK158822 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,2,0,0,0,0|1,0,1]=4 169 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,2,0,0,0,0|1,0,1]=4 171 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.1 BrCC1CCOC1 AK-51697 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.1 BrCC1OCCO1 AK110803 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,1,0,0|0,0,0]=2 175 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.1 CNC1COCC1 AK-48592 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.1 COC1CNCC1 AK-33180 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.1 CO[C@H]1CNCC1 AK-35279 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.1 NCC1CCOC1 AK-33831 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.1 NCC1COCC1 AK-50648 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.1 NCC1NCCC1 AK-26146 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.1 NC[C@@H]1NCCC1 AK110323 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.1 NC[C@H]1NCCC1 AK-48661 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.1 NNC1CCCC1 AK-44319 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.1 OCC1CC=CC1 AK-48070 [1,0,0,1,0,0|0,0,2]=4 188 B7R1.1 OCC1CCCN1 AK-40306 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.1 OCC1OCCC1 AK106959 [1,0,0,1,0,0|0,0,0]=2 194 B7R1.1 OCC1OCCO1 AK159792 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.1 OCC1OCOC1 AK112875 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.3 BrC1CCNCC1 AK-47522 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 BrC1CCOCC1 AK-29943 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.3 C1C(CCOC1)N AK-25779 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.3 C1CC(CCO1)O AK-25581 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.3 CC1CNCCO1 AK100672 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.3 CC1NCCOC1 AK-35119 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 C[C@H]1CNCCO1 AK-42092 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.3 C[C@H]1NCCNC1 AK-32235 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 C[C@H]1NCCOC1 AK-39747 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.3 C[C@H]1NCCOC1 AK-50489 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.3 ClC1CCNCC1 AK-26089 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 IC1CCOCC1 AK-29944 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 N1[C@H](CNCC1)C AK-46798 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 NC1CCSCC1 AK-77885 [1,0,0,1,0,0|1,1,0]=4 222 B7R1.3 NC1CNCCC1 AK-33202 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 N[C@@H]1COCCC1 AK-77753 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.3 N[C@H]1CCCNC1 AK-34730 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 N[C@H]1CNCCC1 AK-33065 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 N[C@H]1CNCCC1 AK-34731 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 N[C@H]1COCCC1 AK-77571 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.3 O1CCCC(C1)O AK-32117 [1,0,0,1,0,0|0,0,0]=2 231 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,2]=4 232 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|0,0,2]=4 233 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.3 OC1CCNCC1 AK-46522 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.3 OC1CCNCC1 AK-80456 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.3 OC1COCOC1 AK-85976 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.3 O[C@H]1CCCNC1 AK-29273 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [1,0,0,1,0,0|1,0,0]=3 244 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.4 OC1C(N)CCC1 AK-50447 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.6 CCOC1CNC1 AK-71516 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.6 CCOC1CNC1 AK-92383 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.6 OCCN1CCC1 AK116274 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.2 NCC1CN(C)CCO1 AK-45788 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.7 O[C@H]1CN(CCN)CC1 AK-36066 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.8 BrCCN1CCCCC1 AK110576 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.8 BrCCN1CCOCC1 AK-82147 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.8 BrCCN1CCOCC1 AK102417 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.8 C(CN1CCNCC1)O AK-47366 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.8 CCCC1CCNCC1 AK135014 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.8 COCC1CCNCC1 AK-39216 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.8 COCC1CNCCO1 AK119603 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.8 COCC1NCCCC1 AK153936 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.8 COCC1NCCOC1 AK102282 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.8 COC[C@@H]1NCCOC1 AK102252 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.8 COC[C@H]1CNCCO1 AK108397 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.8 ClCCN1CCOCC1 AK-34689 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.8 FCCN1CCNCC1 AK-95540 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.8 FCCN1CCNCC1 AK124419 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.8 N#CCC1CCCCC1 AK144830 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.8 NCCC1CCCCC1 AK-25118 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.8 NCCC1CCOCC1 AK-84660 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.8 NCCN1CCCCC1 AK-45168 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.8 NCCN1CCCCC1 AK-93384 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.8 NCCN1CCOCC1 AK-32557 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.8 OCCC1NCCNC1 AK-45810 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.8 OCCN1CCOCC1 AK-72501 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.12 BrCCCN1CCCC1 AK140161 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.12 ClCCCC1OCCO1 AK-60697 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.12 ClCCCN1CCCC1 AK-35019 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.12 NCCCN1CCCC1 AK-73082 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.12 OCCCN1CCCC1 AK-87069 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.15 NCC1N(C)CCCC1 AK150786 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.15 OC1C(CO)CNCC1 AK151180 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.33 CN1C(CCN)CCC1 AK-32183 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.33 OCCC1N(C)CCC1 AK-32182 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.14 CCN1[C@H](CN)CCC1 AK-34220 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.103 N1CCNCCNCC1 AK-54605 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.118 CC1(CO)CCNCC1 AK-31335 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.118 OC1(CO)CCNCC1 AK121898 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.118 OC1(CO)CCNCC1 AK170693 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.118 OCC1(F)CCNCC1 AK110676 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.118 OCC1(N)CCOCC1 AK-40529 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.132 O[C@H]1[C@@H](CO)OC[C@@H]1O AK141810 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.6 CC(C1CNCCO1)C AK144757 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.6 CC(C1NCCOC1)C AK102280 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.40 OC1C(C)(C)CNCC1 AK-29234 [0,1,0,1,0,0|2,0,0]=4 334 B9R2.68 C12CCC(COC1)N2 AK-38063 [0,0,0,2,0,0|1,0,0]=3 335 B9R2.68 C12NC(CNC1)CC2 AK-87591 [0,0,0,2,0,0|2,0,0]=4 336 B9R2.68 C12OC(CNC1)CC2 AK-32096 [0,0,0,2,0,0|1,0,0]=3 337 B9R2.174 C1CC12CNCCN2 AK-30663 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.174 O1CC12CCOCC2 AK-41848 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.3 C12CNCC1CCC2 AK-25125 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.173 C1NCC12OCCC2 AK163731 [0,0,0,2,0,0|2,0,0]=4