0 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,0,0,0|0,0,1]=2 21 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,0,0,0|0,0,0]=1 22 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.1 BrCCCCCC#N AK-81731 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.1 BrCCNCCCN AK-32244 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.1 C(CCCBr)CCBr AK-48407 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.1 C(CCCCC#C)O AK-30082 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.1 C=CCCCCCBr AK-40908 [0,0,1,0,0,0|2,0,0]=3 31 B7R0.1 C=CCCCCNC AK142907 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.1 COCCOCCN AK-67670 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.1 ICCCCCCI AK165087 [0,0,1,0,0,0|2,0,1]=4 34 B7R0.1 NCCCCCCN AK129024 [0,0,1,0,0,0|1,0,1]=3 35 B7R0.1 NCCCNCCO AK-50569 [0,0,1,0,0,0|1,0,2]=4 36 B7R0.1 OCCCCCCBr AK110830 [0,0,1,0,0,0|1,0,2]=4 37 B7R0.1 OCCCCCCCl AK-47999 [0,0,1,0,0,0|1,0,2]=4 38 B7R0.1 OCCCCCCN AK-84482 [0,0,1,0,0,0|0,0,2]=3 39 B7R0.3 C=CC(NCCN)=O AK142923 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.3 CCCCC(NN)=O AK114657 [0,0,1,0,0,0|1,0,0]=2 41 B7R0.3 O=C(OC)CCCBr AK-94853 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.3 O=C(OC)CCNC AK-85857 [0,0,1,0,0,0|2,0,0]=3 43 B7R0.4 C#CCCCC(O)=O AK112298 [0,0,1,0,0,0|1,0,2]=4 44 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.4 CC(OCCCCl)=O AK167628 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 CCCCCB(O)O AK-46118 [0,0,1,0,0,0|2,0,1]=4 47 B7R0.4 COCCCC(O)=O AK-76729 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.4 NC(OCCCC)=O AK116656 [0,0,1,0,0,0|1,0,0]=2 49 B7R0.4 O=C(N)COCCCl AK113880 [0,0,1,0,0,0|2,0,0]=3 50 B7R0.4 O=C(O)CCCCBr AK113954 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.4 O=C(O)CCCCCl AK139351 [0,0,1,0,0,0|2,0,0]=3 52 B7R0.4 O=C(O)CCCCO AK198817 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.7 CC#CC(OCC)=O AK-44989 [0,0,1,0,0,0|1,0,2]=4 55 B7R0.7 CCOC(=O)CCBr AK-76993 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.7 CCOC(=O)CCO AK-41251 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.7 O=C(COC)COC AK116819 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.7 O=C(NCC)NCC AK116700 [0,0,1,0,0,0|1,0,0]=2 59 B7R0.7 O=C(OCC)CCN AK-49791 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.7 O=C(OCC)CNC AK-44190 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.7 O=C(OCC)CNN AK-50556 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.7 O=C(OCC)OCCl AK128867 [0,0,1,0,0,0|3,0,0]=4 63 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,0,1,0|1,0,1]=3 65 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,0,1,0|2,0,1]=4 66 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,0,1,0|2,0,1]=4 67 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,0,1,0|1,0,0]=2 68 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,0,1,0|2,0,1]=4 69 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,0,1,0|1,0,2]=4 70 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,0,1,0|2,0,1]=4 71 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,0,1,0|2,0,1]=4 72 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,0,1,0|2,0,1]=4 73 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,0,1,0|2,0,1]=4 75 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,0,1,0|2,0,1]=4 76 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,0,1,0|2,0,1]=4 78 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,0,1,0|2,0,1]=4 81 B7R1.3 NC1=NCCCN1 AK128358 [0,0,0,0,1,0|2,0,0]=3 82 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,0,1,0|2,0,1]=4 83 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,0,1,0|2,0,1]=4 84 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,0,1,0|2,0,0]=3 85 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,0,1,0|2,0,1]=4 88 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,0,1,0|2,0,1]=4 90 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,0,1,0|2,0,1]=4 91 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,0,1,0|1,0,2]=4 92 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,0,1,0|1,0,0]=2 93 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,0,1,0|1,0,0]=2 94 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,0,1,0|1,0,0]=2 95 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,0,1,0|1,0,0]=2 96 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,0,1,0|1,0,0]=2 97 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,0,1,0|1,0,0]=2 98 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,0,1,0|1,0,2]=4 99 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,0,1,0|1,0,0]=2 100 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,0,1,0|1,0,0]=2 101 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,0,1,0|0,0,2]=3 102 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,0,1,0|1,0,0]=2 103 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,0,1,0|1,0,0]=2 104 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,0,1,0|1,0,0]=2 105 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,0,1,0|2,0,0]=3 106 B7R1.3 O=S1OCCCO1 AK307879 [0,0,0,0,1,0|3,0,0]=4 107 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,0,1,0|1,0,2]=4 108 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,0,1,0|1,0,2]=4 109 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,0,1,0|1,0,2]=4 110 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,0,1,0|1,0,2]=4 111 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,0,0,1|1,0,0]=2 112 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,0,0,1|0,0,0]=1 113 B6R0.6 BrCCCCCBr AK134932 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.6 C(CCO)CCBr AK-72934 [1,0,1,0,0,0|1,0,1]=4 115 B6R0.6 C=CCCCCBr AK-48086 [1,0,1,0,0,0|1,0,1]=4 116 B6R0.6 CCCNCCO AK-60790 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.6 C\C=C\CCCO AK-46431 [1,0,1,0,0,0|2,0,0]=4 118 B6R0.6 ClCCCCC=O AK110863 [1,0,1,0,0,0|1,0,0]=3 119 B6R0.6 FCCCCCBr AK-48229 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.6 O=CCCCCO AK-40206 [1,0,1,0,0,0|1,0,0]=3 121 B6R0.6 OCCCCNC AK112657 [1,0,1,0,0,0|1,0,1]=4 122 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.1 CCCC(NN)=O AK-95909 [1,0,1,0,0,0|1,0,0]=3 124 B6R0.1 O=C(NCC)CN AK-65785 [1,0,1,0,0,0|1,0,0]=3 125 B6R0.1 O=C(NN)COC AK110451 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 O=C(OC)CCN AK-46776 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.1 O=C(OC)CCO AK-83355 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.1 O=C(OC)CNC AK-58375 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.1 O=C(OC)OCC AK397345 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 O=C(OCC)CO AK-98662 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,1,0,0,0|1,0,0]=3 133 B6R0.4 CC(OCCBr)=O AK165045 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.4 CCCCC([O-])=O AK163205 [1,0,1,0,0,0|1,0,0]=3 135 B6R0.4 NC(OCCC)=O AK116320 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.4 O=C(N)NCCO AK121931 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.4 O=C(O)CCCCl AK113749 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.4 O=C(O)CCCN AK-43987 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.4 O=C(O)CCNC AK155866 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.4 O=C(O)CCOC AK-88477 [1,0,1,0,0,0|2,0,0]=4 141 B8R0.4 C=CCCCCCCCl AK164503 [0,1,1,0,0,0|2,0,0]=4 142 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,1,0,0,0|2,0,0]=4 143 B8R0.6 C=CC(O)CCCCC AK164470 [0,1,1,0,0,0|2,0,0]=4 144 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,1,0,0,0|0,0,2]=4 145 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,1,0,0,0|1,0,1]=4 146 B8R0.7 C(=N)(NCCCCN)N AK-49694 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.7 NC(NCCCCN)=N AK-81861 [0,1,1,0,0,0|2,0,0]=4 148 B8R0.7 NC(NCCCCN)=N AK608136 [0,1,1,0,0,0|2,0,0]=4 149 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,1,0,0,0|1,0,0]=3 150 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,1,0,0,0|0,0,0]=2 151 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,1,0,0,0|1,0,0]=3 152 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,1,0,0,0|1,0,0]=3 153 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,1,0,0,0|1,0,0]=3 154 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,1,0,0,0|1,0,0]=3 155 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,1,0,0,0|1,0,0]=3 158 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,1,0,0,0|1,0,1]=4 159 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,1,1,0,0,0|1,0,1]=4 160 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,1,0,0,0|1,0,0]=3 161 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,1,1,0,0,0|1,0,0]=3 162 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,1,1,0,0,0|1,0,1]=4 163 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.21 CS(=O)(OCCCC)=O AK114028 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.22 O=CN(CCC)CCC AK325108 [0,1,1,0,0,0|2,0,0]=4 167 B8R1.2 BrCC1CCCCC1 AK-34379 [0,1,0,0,1,0|1,0,1]=4 168 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,0,1,0|1,0,1]=4 169 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,0,1,0|1,0,1]=4 170 B8R1.2 ICC1CCCCC1 AK126313 [0,1,0,0,1,0|1,0,1]=4 171 B8R1.2 N#CC1CCCCC1 AK117259 [0,1,0,0,1,0|1,0,1]=4 172 B8R1.2 NNC1CCCCC1 AK-51695 [0,1,0,0,1,0|1,0,1]=4 173 B8R1.2 O=CN1CCOCC1 AK-47431 [0,1,0,0,1,0|2,0,0]=4 174 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,0,1,0|0,0,2]=4 175 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,0,1,0|0,0,2]=4 176 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,0,1,0|0,0,2]=4 177 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,0,1,0|0,0,2]=4 178 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,0,1,0|0,0,2]=4 179 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,0,1,0|0,0,2]=4 180 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,0,1,0|0,0,2]=4 181 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,0,1,0|1,0,0]=3 182 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,1,0,0,1,0|2,0,0]=4 183 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,1,0,0,1,0|2,0,0]=4 184 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,1,0,0,1,0|1,0,1]=4 185 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,1,0,0,1,0|1,0,1]=4 186 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,0,1,0|0,0,2]=4 187 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,1,0,0,1,0|1,0,1]=4 188 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,1,0,0,1,0|1,0,1]=4 189 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,1,0,0,1,0|0,0,1]=3 190 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,1,0,0,1,0|1,0,1]=4 191 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,0,1,0|0,0,0]=2 192 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,0,1,0|0,0,0]=2 193 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,0,1,0|0,0,0]=2 194 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,0,1,0|0,0,0]=2 195 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,0,1,0|0,0,0]=2 196 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,0,1,0|0,0,0]=2 197 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,0,1,0|0,0,2]=4 198 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,0,1,0|2,0,0]=4 199 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,0,1,0|2,0,0]=4 200 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,0,1,0|0,0,2]=4 201 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,0,1,0|0,0,2]=4 202 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,0,1,0|0,0,2]=4 203 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,0,1,0|2,0,0]=4 204 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,0,1,0|0,0,1]=3 205 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,0,1,0|0,0,2]=4 206 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,0,1,0|0,0,0]=2 207 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,0,1,0|2,0,0]=4 208 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,0,1,0|0,0,2]=4 209 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,0,1,0|2,0,0]=4 210 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,0,1,0|2,0,0]=4 211 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,1,0,0,1,0|1,0,1]=4 212 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,0,1,0|1,0,0]=3 213 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,0,1,0|0,0,1]=3 214 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,0,1,0|1,0,1]=4 216 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,1,0,0,1,0|1,0,1]=4 217 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,0,1,0|0,0,0]=2 218 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,0,1,0|1,0,0]=3 219 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,0,1,0|0,0,0]=2 220 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,0,1,0|1,0,0]=3 221 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,0,1,0|1,0,0]=3 222 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,0,1,0|2,0,0]=4 223 B8R1.5 BrC1CCCCC1Br AK110889 [0,1,0,0,1,0|1,0,1]=4 224 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,0,1,0|0,0,2]=4 225 B8R1.5 CC1=NCCCN1C AK-78909 [0,1,0,0,1,0|2,0,0]=4 226 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,0,1,0|0,0,0]=2 227 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,0,1,0|0,0,0]=2 228 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,0,1,0|0,0,0]=2 229 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,0,1,0|0,0,2]=4 230 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,1,0,0,1,0|1,0,1]=4 231 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,1,0,0,1,0|1,0,1]=4 232 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,1,0,0,1,0|1,0,1]=4 233 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,0,1,0|0,0,2]=4 234 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,0,1,0|0,0,2]=4 235 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,0,1,0|1,0,0]=3 237 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,0,1,0|1,0,0]=3 238 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,0,1,0|0,0,1]=3 239 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,0,1,0|1,0,0]=3 240 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,0,1,0|0,0,0]=2 241 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,0,1,0|0,0,0]=2 242 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,0,1,0|0,0,0]=2 243 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,0,1,0|0,0,0]=2 244 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,0,1,0|1,0,0]=3 245 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,0,1,0|0,0,2]=4 246 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,0,1,0|0,0,2]=4 247 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,0,1,0|0,0,2]=4 248 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,0,1,0|0,0,2]=4 249 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,0,1,0|0,0,2]=4 250 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,1,0,0,1,0|2,0,0]=4 254 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,0,1,0|0,0,2]=4 255 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,0,1,1,0,0|2,0,0]=4 258 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,1,1,0,0|1,0,1]=4 259 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,0,1,1,0,0|2,0,0]=4 260 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,0,1,1,0,0|0,0,2]=4 261 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,0,1,1,0,0|1,0,0]=3 262 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,0,1,1,0,0|1,0,0]=3 263 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,0,1,1,0,0|2,0,0]=4 264 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,0,1,1,0,0|1,0,0]=3 265 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,0,1,1,0,0|1,0,0]=3 266 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,0,1,1,0,0|1,0,0]=3 267 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,0,1,1,0,0|2,0,0]=4 268 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,0,1,1,0,0|1,0,0]=3 270 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,0,1,1,0,0|1,0,0]=3 271 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,0,1,1,0,0|1,0,0]=3 274 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,1,1,0,0|1,0,1]=4 275 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,1,1,0,0|2,0,0]=4 277 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,1,1,0,0|1,0,0]=3 278 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,1,1,0,0|1,0,0]=3 280 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,1,1,0,0|1,0,0]=3 281 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,1,1,0,0|2,0,0]=4 282 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,1,1,0,0|2,0,0]=4 283 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,1,1,0,0|2,0,0]=4 284 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,1,1,0,0|2,0,0]=4 285 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,1,1,0,0|2,0,0]=4 286 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,1,1,0,0|2,0,0]=4 287 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.34 CC(OC1CNC1)=O AK208566 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,1,1,0,0|1,0,0]=3 292 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,1,1,0|1,0,1]=4 293 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,1,0,1,0,0|0,0,0]=2 294 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,1,0,1,0,0|1,0,0]=3 295 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,1,0,1,0,0|1,0,0]=3 296 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,0,1,0|0,0,2]=4 297 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,0,1,0|1,0,0]=3 298 B6R1.1 C1CSCCN1 AK110355 [1,0,0,0,1,0|1,0,0]=3 299 B6R1.1 N1CCOCC1 AK116221 [1,0,0,0,1,0|1,0,0]=3 300 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,0,1,0|1,0,0]=3 301 B6R1.1 O1NCCCC1 AK156568 [1,0,0,0,1,0|1,0,0]=3 302 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,0,1,0|0,0,1]=3 303 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,0,1,0|0,0,1]=3 304 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,0,2,0|1,0,1]=4 305 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,0,2,0|1,0,1]=4 306 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,0,2,0|1,0,1]=4 307 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,0,2,0|1,0,1]=4 308 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,0,2,0|1,0,0]=3 309 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,0,2,0|1,0,0]=3 310 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,0,2,0|1,0,0]=3 311 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,0,2,0|1,0,0]=3 312 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,0,2,0|1,0,0]=3 313 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,0,2,0|1,0,0]=3 314 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,0,2,0|2,0,0]=4 315 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,0,2,0|1,0,0]=3