0 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 NC1=NCCCN1 AK128358 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,0,0,0|1,0,0]=1 23 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,0,0,0|1,0,0]=1 29 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.3 O=S1OCCCO1 AK307879 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,0,0,0|2,0,0]=2 49 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,0,0,0|1,0,2]=4 50 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.1 C1CSCCN1 AK110355 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.1 N1CCOCC1 AK116221 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.1 O1NCCCC1 AK156568 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,0,0,0|1,0,0]=2 56 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 BrCC1CCCCC1 AK-34379 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.2 BrCC1CCOCC1 AK-33044 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 C#CC1CCCNC1 AK-40565 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.2 CNC1CCCNC1 AK-39351 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 CNC1CCNCC1 AK-81357 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.2 CNC1CCOCC1 AK-29001 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.2 COC1CCNCC1 AK-86244 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 ICC1CCCCC1 AK126313 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.2 ICC1CCOCC1 AK-51037 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 N#CC1CCCCC1 AK117259 [0,1,0,0,0,0|0,0,1]=2 73 B8R1.2 N#CC1CCNCC1 AK-76369 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.2 N#CC1CNCCC1 AK-84454 [0,1,0,0,0,0|1,0,1]=3 75 B8R1.2 N#CC1CNCCO1 AK-77728 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.2 N#CC1NCCNC1 AK-39036 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 NCC1CCOCC1 AK-33095 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 NNC1CCCCC1 AK-51695 [0,1,0,0,0,0|0,0,0]=1 83 B8R1.2 NNC1CCOCC1 AK-40761 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.2 O=CN1CCOCC1 AK-47431 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 OCC1NCCNC1 AK-42128 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,0,0,0|0,0,0]=1 102 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,0,0,0|0,0,0]=1 103 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,0,0,0|0,0,0]=1 104 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,1,0,0,0,0|0,0,0]=1 111 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,1,0,0,0,0|0,0,0]=1 112 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,0,0,0|0,0,0]=1 113 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,1,0,0,0,0|0,0,0]=1 114 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,1,0,0,0,0|0,0,0]=1 115 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,0,0,0|0,0,1]=2 117 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,0,0,0|1,0,1]=3 122 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.3 OC1OCC(O)OC1 AK-39061 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,0,0,0|0,0,0]=1 127 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,0,0,0|0,0,0]=1 128 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.4 CC1COCC(C)N1 AK138217 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,0,0,0|0,0,0]=1 136 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,0,0,0|0,0,3]=4 139 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,1,0,0,0,0|0,0,0]=1 142 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.5 BrC1CCCCC1Br AK110889 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,0,0,0|0,0,0]=1 149 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,0,0,0|1,0,1]=3 153 B8R1.5 NC1C(F)COCC1 AK-68595 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,0,0,0|0,0,1]=2 155 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,0,0,0|0,0,0]=1 157 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,1,0,0,0,0|0,0,0]=1 158 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,1,0,0,0,0|0,0,0]=1 159 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,0,0,0|0,0,0]=1 161 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,1,0,0,0,0|0,0,0]=1 163 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,0,0,0|1,0,2]=4 166 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,0,0,0|1,0,1]=3 167 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,0,0,0|1,0,1]=3 168 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,0,0,0|0,0,0]=1 171 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,0,0,0|0,0,0]=1 175 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.72 CC1(C)CCNCC1 AK116331 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.72 CC1(C)CNCCO1 AK113050 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.72 CC1(C)CNCCO1 AK128847 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.72 CC1(C)NCCOC1 AK-88532 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.72 CC1(CCOCC1)O AK-31507 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.72 CC1(CNCCN1)C AK-36524 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [0,1,0,0,0,0|2,1,0]=4 184 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.72 OC1(O)CCNCC1 AK109336 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.1 CCC[C@H](N)CO AK-81386 [0,0,1,0,0,0|1,0,0]=2 194 B6R0.1 OCC(O)CNC AK-68394 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.4 CC(C)NCCCl AK110294 [0,0,1,0,0,0|3,0,0]=4 196 B6R0.4 CC(C)OCCBr AK110255 [0,0,1,0,0,0|3,0,0]=4 197 B6R0.4 CC(CCCCl)=O AK-48368 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.4 CCCCB(O)O AK-44016 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.4 CCCCC([O-])=O AK163205 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.4 CN(C)CCCBr AK-35747 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.4 CN(C)CCCCl AK-25287 [0,0,1,0,0,0|3,0,0]=4 202 B6R0.4 CN(C)CCCCl AK113440 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.4 CN(CCNC)C AK-64867 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.4 NC(OCCC)=O AK116320 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.6 BrCCCCCBr AK134932 [0,0,1,0,0,0|2,0,0]=3 206 B6R0.6 BrCCNCCBr AK-72773 [0,0,1,0,0,0|3,0,0]=4 207 B6R0.6 C(CCO)CCBr AK-72934 [0,0,1,0,0,0|2,0,0]=3 208 B6R0.6 C=CCCCCBr AK-48086 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.6 CCCNCCO AK-60790 [0,0,1,0,0,0|2,0,0]=3 210 B6R0.6 C\C=C\CCCO AK-46431 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.6 ClCCCCC=O AK110863 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.6 ClCCNCCCl AK-44109 [0,0,1,0,0,0|3,0,0]=4 213 B6R0.6 ClCCOCCO AK114565 [0,0,1,0,0,0|3,0,0]=4 214 B6R0.6 FCCCCCBr AK-48229 [0,0,1,0,0,0|2,0,0]=3 215 B6R0.6 O=CCCCCO AK-40206 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.6 OCCCCNC AK112657 [0,0,1,0,0,0|2,0,0]=3 217 B8R2.11 NC1C2COCC12 AK-31517 [0,0,0,1,0,0|1,0,0]=2 218 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,1,0,0|3,0,0]=4 219 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,1,0,0|0,0,0]=1 220 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,1,0,0|3,0,0]=4 221 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,0,1,0|2,0,0]=3 222 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,0,1,0|2,0,0]=3 223 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,0,1,0|2,0,0]=3 224 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,0,1,0|2,0,0]=3 225 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,0,1,0|2,0,0]=3 226 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,0,1,0|2,0,0]=3 227 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,0,1,0|2,0,0]=3 228 B6R1.2 IC1COCC1 AK162325 [0,0,0,0,1,0|2,0,0]=3 229 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,0,1,0|2,0,0]=3 230 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,0,1,0|2,0,0]=3 231 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,0,1,0|2,0,0]=3 232 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,0,1,0|1,0,1]=3 233 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,0,1,0|0,0,2]=3 234 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,0,1,0|1,0,0]=2 235 B6R1.2 NC1COCC1 AK-25569 [0,0,0,0,1,0|1,0,0]=2 236 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,0,1,0|1,0,0]=2 237 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,0,1,0|1,0,0]=2 238 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,0,1,0|1,0,0]=2 239 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,0,1,0|1,0,0]=2 240 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,0,1,0|1,0,0]=2 241 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,0,1,0|2,0,1]=4 242 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,0,1,0|2,0,1]=4 243 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,0,1,0|2,0,1]=4 244 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,0,1,0|2,0,0]=3 245 B6R1.2 OC1CNCC1 AK134933 [0,0,0,0,1,0|2,0,0]=3 246 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,0,1,0|2,0,0]=3 247 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,0,1,0|2,0,0]=3 248 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,0,1,0|2,0,0]=3 249 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,0,1,0|2,0,0]=3 250 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,0,1,0|2,0,0]=3 251 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,0,1,0|2,0,0]=3 252 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,0,0,1|1,0,1]=3 255 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,0,0,1|0,0,0]=1 256 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,0,0,1|1,0,2]=4 257 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,0,0,1|2,0,1]=4 258 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,0,0,1|2,0,1]=4 259 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,0,0,1|2,0,1]=4 260 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,0,0,1|1,0,1]=3 261 B5R0.1 CC(N)CCO AK-81869 [1,0,1,0,0,0|1,0,0]=3 262 B5R0.1 C[C@@H](N)CC#N AK203337 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,1,0,0,0|0,0,0]=2 264 B5R0.1 C[C@@H](N)CCO AK-41725 [1,0,1,0,0,0|1,0,0]=3 265 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,1,0,0,0|1,0,0]=3 266 B5R0.1 C[C@@H](O)CCO AK-86774 [1,0,1,0,0,0|2,0,0]=4 267 B5R0.1 C[C@H](N)CC#N AK173140 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.1 C[C@H](N)CCC AK171191 [1,0,1,0,0,0|0,0,0]=2 269 B5R0.1 C[C@H](N)CCO AK-41726 [1,0,1,0,0,0|1,0,0]=3 270 B5R0.2 C(CCN)CN AK-46742 [1,0,1,0,0,0|1,0,0]=3 271 B5R0.2 CNOCCN AK155896 [1,0,1,0,0,0|2,0,0]=4 272 B5R0.2 ClCCCCBr AK105174 [1,0,1,0,0,0|2,0,0]=4 273 B5R0.2 ICCCCCl AK116716 [1,0,1,0,0,0|2,0,0]=4 274 B5R0.2 ICCCCI AK112667 [1,0,1,0,0,0|2,0,0]=4 275 B5R0.2 NCCCCBr AK-51681 [1,0,1,0,0,0|1,0,0]=3 276 B5R0.2 NOCCCC AK-85835 [1,0,1,0,0,0|1,0,0]=3 277 B5R0.2 OCCCCN AK-58038 [1,0,1,0,0,0|1,0,0]=3 278 B5R0.2 OCCCNC AK112615 [1,0,1,0,0,0|2,0,0]=4 279 B5R0.3 CCC(N)CO AK-57405 [1,0,1,0,0,0|1,0,0]=3 280 B5R0.3 CC[C@@H](O)CO AK110229 [1,0,1,0,0,0|2,0,0]=4 281 B5R0.3 CC[C@H](N)CO AK-86460 [1,0,1,0,0,0|1,0,0]=3 282 B5R0.3 CC[C@H](O)CO AK110230 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,1,0,0,0|1,0,1]=4 284 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,1,0,0,0|1,0,0]=3 287 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,1,0,0,0|1,0,0]=3 288 B7R0.3 CCCCC(O)CO AK161793 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,1,0,0,0|1,0,0]=3 290 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.7 C(OC)C(O)COC AK-46679 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.7 NC(COC)COC AK-79017 [0,1,1,0,0,0|1,0,0]=3 294 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,1,0,0,0|1,0,1]=4 296 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,1,0,0,0|1,0,1]=4 297 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,1,0,0,0|1,0,1]=4 298 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,1,1,0,0,0|1,0,0]=3 299 B7R0.4 CC(O)CNCCO AK142435 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.4 NC(OCCCC)=O AK116656 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.8 CCCC[N+](C)(C)C AK-59431 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.1 BrCCCCCC#N AK-81731 [0,1,1,0,0,0|0,0,2]=4 303 B7R0.1 BrCCNCCCN AK-32244 [0,1,1,0,0,0|1,0,0]=3 304 B7R0.1 C(CCCBr)CCBr AK-48407 [0,1,1,0,0,0|1,0,0]=3 305 B7R0.1 C(CCCCC#C)O AK-30082 [0,1,1,0,0,0|1,0,1]=4 306 B7R0.1 C=CCCCCCBr AK-40908 [0,1,1,0,0,0|1,0,1]=4 307 B7R0.1 C=CCCCCNC AK142907 [0,1,1,0,0,0|0,0,2]=4 308 B7R0.1 COCCOCCN AK-67670 [0,1,1,0,0,0|1,0,0]=3 309 B7R0.1 ICCCCCCI AK165087 [0,1,1,0,0,0|1,0,0]=3 310 B7R0.1 NCCCCCCN AK129024 [0,1,1,0,0,0|0,0,0]=2 311 B7R0.1 NCCCNCCO AK-50569 [0,1,1,0,0,0|1,0,0]=3 312 B7R0.1 NCCSSCCN AK-47593 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.1 NCC[Se][Se]CCN AK327611 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.1 OCCCCCCBr AK110830 [0,1,1,0,0,0|1,0,0]=3 315 B7R0.1 OCCCCCCCl AK-47999 [0,1,1,0,0,0|1,0,0]=3 316 B7R0.1 OCCCCCCN AK-84482 [0,1,1,0,0,0|0,0,0]=2 317 B7R1.1 BrCC1CCCC1 AK-88361 [0,1,0,0,1,0|1,0,0]=3 318 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,0,1,0|1,0,0]=3 320 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,0,1,0|1,0,0]=3 322 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,0,1,0|2,0,0]=4 323 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,0,1,0|2,0,0]=4 324 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,0,1,0|2,0,0]=4 325 B7R1.1 N#CC1CCNC1 AK-85980 [0,1,0,0,1,0|1,0,1]=4 326 B7R1.1 N#C[C@@H]1CNCC1 AK171889 [0,1,0,0,1,0|1,0,1]=4 327 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,0,1,0|0,0,0]=2 328 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,0,1,0|1,0,0]=3 329 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,0,1,0|1,0,0]=3 330 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,0,1,0|1,0,0]=3 331 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,0,1,0|1,0,0]=3 332 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,0,1,0|1,0,0]=3 333 B7R1.1 NNC1CCCC1 AK-44319 [0,1,0,0,1,0|0,0,0]=2 334 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,0,1,0|2,0,0]=4 335 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,0,1,0|2,0,0]=4 336 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,0,1,0|2,0,0]=4 337 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,0,1,0|2,0,0]=4 338 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,0,1,0|2,0,0]=4 341 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,0,1,0|2,0,0]=4 343 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,0,1,0|2,0,0]=4 344 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,0,1,0|2,0,0]=4 345 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,0,1,0|2,0,0]=4 346 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,1,0,0,1,0|2,0,0]=4 347 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,0,1,0|2,0,0]=4 348 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,0,1,0|0,0,0]=2 349 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,1,0,0,1,0|1,0,0]=3 350 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,0,1,0|1,0,1]=4 351 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,0,1,0|1,0,1]=4 352 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,1,0,0,1,0|0,0,0]=2 353 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,0,1,0|0,0,0]=2 354 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,0,1,0|1,0,1]=4 355 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,0,1,0|0,0,0]=2 356 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,0,1,0|2,0,0]=4 357 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,0,1,0|2,0,0]=4 358 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,0,1,0|0,0,0]=2 359 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,0,1,0|1,0,1]=4 360 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,0,1,0|0,0,0]=2 361 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,0,1,0|0,0,0]=2 362 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,0,1,0|1,0,1]=4 363 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,0,1,0|0,0,0]=2 364 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,0,1,0|0,0,0]=2 365 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,0,1,0|1,0,1]=4 366 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,1,0,0,1,0|1,0,0]=3 367 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,0,1,0|0,0,0]=2 368 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,0,1,0|1,0,1]=4 369 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,0,1,0|1,0,1]=4 370 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,0,1,0|1,0,1]=4 371 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,0,1,0|0,0,0]=2 372 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,0,1,0|0,0,0]=2 373 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,0,1,0|2,0,0]=4 374 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,0,1,0|2,0,0]=4 375 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,0,1,0|1,0,0]=3 376 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,0,1,0|0,0,0]=2 377 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,0,1,0|2,0,0]=4 378 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,0,1,0|2,0,0]=4 379 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,0,1,0|2,0,0]=4 380 B7R1.14 FC1(F)CNCC1 AK-29913 [0,1,0,0,1,0|2,0,0]=4 381 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,0,0,1|1,0,1]=4 382 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,0,0,1|0,0,1]=3 383 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,0,0,1|0,0,1]=3 384 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,0,0,1|0,0,1]=3 385 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,0,0,1|0,0,1]=3 386 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,0,0,1|0,0,1]=3 388 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,0,0,1|0,0,1]=3 390 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,0,0,1|0,0,0]=2 391 B9R1.1 C(N1CCC(O)CC1)C AK-25832 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,2,0,0,0,0|1,0,1]=4 394 B9R1.1 CN1CCC(C#C)CC1 AK677470 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.1 CNC1CCN(C)CC1 AK-22168 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.1 COC1CCC(N)CC1 AK-77237 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,2,0,0,0,0|0,0,2]=4 398 B9R1.1 N#CC1CCC(N)CC1 AK164809 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,2,0,0,0,0|1,0,1]=4 400 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,2,0,0,0,0|0,0,1]=3 401 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,2,0,0,0,0|1,0,1]=4 402 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,2,0,0,0,0|1,0,1]=4 403 B9R1.1 OC1CCC(CC1)C#N AK-37993 [0,2,0,0,0,0|0,0,1]=3 404 B9R1.1 OC1CCC(NC)CC1 AK141349 [0,2,0,0,0,0|0,0,0]=2 405 B9R1.1 OC1CCC(OC)CC1 AK-93462 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [0,2,0,0,0,0|0,0,0]=2 407 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [0,2,0,0,0,0|0,0,0]=2 409 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.2 NCC1CN(C)CCO1 AK-45788 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.6 CN(C)C1CCNCC1 AK146317 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.6 CN(C1CCNCC1)C AK-35307 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.6 FC(C1CCNCC1)F AK122708 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,2,0,0,0,0|1,0,0]=3 429 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.8 BrCCN1CCCCC1 AK110576 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.8 CCCC1CCNCC1 AK135014 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.8 CCNC1CCOCC1 AK-49563 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.8 COCC1CCNCC1 AK-39216 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.8 COCC1NCCCC1 AK153936 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.8 N#CCC1CCCCC1 AK144830 [0,2,0,0,0,0|0,0,1]=3 447 B9R1.8 N#CCC1CCOCC1 AK-50173 [0,2,0,0,0,0|1,0,1]=4 448 B9R1.8 NCCC1CCCCC1 AK-25118 [0,2,0,0,0,0|0,0,0]=2 449 B9R1.8 NCCC1CCOCC1 AK-84660 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.8 NCCN1CCCCC1 AK-45168 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.8 NCCN1CCCCC1 AK-93384 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.8 NCCN1CCOCC1 AK-32557 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.15 NCC1N(C)CCCC1 AK150786 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.15 OC1C(CO)CNCC1 AK151180 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.118 CC1(CO)CCNCC1 AK-31335 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.118 COC1(C)CCNCC1 AK-37665 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.118 N#CC1(C)CCNCC1 AK-93513 [0,2,0,0,0,0|1,0,1]=4 462 B9R1.118 NCC1(F)CCOCC1 AK134915 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.118 OC1(CN)CCOCC1 AK-54797 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.118 OC1(CO)CCNCC1 AK121898 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.118 OC1(CO)CCNCC1 AK170693 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.118 OCC1(F)CCNCC1 AK110676 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.118 OCC1(N)CCOCC1 AK-40529 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.10 CC1(CCC(O)CC1)C AK-32038 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,2,0,0,0,0|1,0,1]=4 472 B9R1.10 FC1(CCC(CC1)O)F AK-34199 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.10 NC1CCC(F)(F)CC1 AK-76520 [0,2,0,0,0,0|0,0,0]=2 474 B9R1.10 NC1CCS(CC1)(=O)=O AK-79011 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.10 NC1CC[S](CC1)(=O)=O AK-49076 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.10 NC1COC(C)(C)OC1 AK549133 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.10 OC1CCS(=O)(=O)CC1 AK-77776 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,2,0,0,0,0|1,0,1]=4 479 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,2,0,0,0,0|1,0,1]=4 480 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,2,0,0,0,0|1,0,1]=4 482 B9R1.66 OC1CC(C)(C)NCC1 AK158084 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.40 NC1CCCCC1(F)F AK-81359 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.40 OC1C(C)(C)CNCC1 AK-29234 [0,2,0,0,0,0|2,0,0]=4 485 B7R1.25 OCC1(N)COC1 AK140937 [0,0,1,1,0,0|2,0,0]=4 486 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,0,1,1,0,0|1,0,0]=3 487 B7R1.18 O=C(C1CCC1)N AK117552 [0,0,1,1,0,0|1,0,1]=4 488 B7R1.24 C1CNCCNC1 AK-29321 [0,0,1,1,0,0|1,0,0]=3 489 B7R1.24 O1CCNCCC1 AK-81388 [0,0,1,1,0,0|1,0,0]=3 490 B7R2.13 C12CNCC1C2 AK-38211 [1,0,0,1,0,0|1,0,0]=3 491 B7R2.13 C12COCC1O2 AK-68770 [1,0,0,1,0,0|2,0,0]=4 492 B9R2.68 C12CCC(COC1)N2 AK-38063 [0,0,0,1,0,1|0,0,0]=2 493 B9R2.68 C12NC(CNC1)CC2 AK-87591 [0,0,0,1,0,1|0,0,0]=2 494 B9R2.68 C12OC(CNC1)CC2 AK-32096 [0,0,0,1,0,1|1,0,0]=3 495 B9R2.174 O1CC12CCOCC2 AK-41848 [0,1,0,1,0,0|2,0,0]=4 496 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,1,0,1,0,0|0,0,0]=2 497 B9R2.95 CC1(C)C2CNCC12 AK-79796 [0,1,0,1,0,0|2,0,0]=4 498 B5R1.1 S1CNCC1 AK340267 [1,0,0,0,1,0|2,0,0]=4 499 B5R1.2 FC1CNC1 AK-35869 [0,0,0,0,2,0|2,0,0]=4 500 B5R1.2 IC1COC1 AK115961 [0,0,0,0,2,0|2,0,0]=4 501 B5R1.2 NC1CNC1 AK-32674 [0,0,0,0,2,0|1,0,0]=3 502 B5R1.2 NC1COC1 AK-49035 [0,0,0,0,2,0|1,0,0]=3 503 B5R1.2 NC1COC1 AK122281 [0,0,0,0,2,0|1,0,0]=3 504 B5R1.2 OC1CNC1 AK-25536 [0,0,0,0,2,0|2,0,0]=4 505 B5R1.2 OC1COC1 AK-32210 [0,0,0,0,2,0|2,0,0]=4 506 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,0,0,2|1,0,1]=4 507 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,0,0,2|1,0,1]=4 508 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,0,0,0,0,2|1,0,0]=3