0 B6R1.1 C1CC=CCN1 AK-91689 [0,0,0,0,0,0|0,0,2]=2 1 B6R1.1 C1CCNNC1 AK-81490 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1CSCCN1 AK110355 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 N1CCOCC1 AK116221 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 O1CNCCC1 AK-82623 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.1 O1NCCCC1 AK156568 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,0,0,0,0,0|0,0,1]=1 7 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,0,0,0,0,0|0,0,1]=1 8 B7R1.3 BrC1CCCCC1 AK-77686 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 BrC1CCNCC1 AK-47522 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 BrC1CCOCC1 AK-29943 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,0,0,0|0,0,1]=2 12 B7R1.3 C1C(CCOC1)N AK-25779 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 C1CC(CCO1)O AK-25581 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 CC1CNCCO1 AK100672 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,1,0,0,0,0|0,0,0]=1 17 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,1,0,0,0,0|0,0,0]=1 21 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 ClC1CCNCC1 AK-26089 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 IC1CCOCC1 AK-29944 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 NC1=NCCCN1 AK128358 [0,1,0,0,0,0|1,0,1]=3 29 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 NC1CNCCC1 AK-33202 [0,1,0,0,0,0|0,0,0]=1 31 B7R1.3 NN1CCCCC1 AK109255 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,1,0,0,0,0|0,0,0]=1 33 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,1,0,0,0,0|0,0,0]=1 35 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,1,0,0,0,0|0,0,0]=1 37 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 O1CCCC(C1)O AK-32117 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,0,0,0|1,0,1]=3 40 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,0,0,0|1,0,1]=3 41 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,0,0,0|1,0,1]=3 42 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,0,0,0|1,0,1]=3 43 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,0,0,0|0,0,1]=2 44 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,0,0,0|0,0,1]=2 45 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,0,0,0|1,0,1]=3 46 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,0,0,0|1,0,1]=3 47 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,0,0,0|0,0,3]=4 48 B7R1.3 O=C1NCCCN1 AK-40132 [0,1,0,0,0,0|1,0,1]=3 49 B7R1.3 O=C1NCCNC1 AK-26132 [0,1,0,0,0,0|1,0,1]=3 50 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.3 O=S1OCCCO1 AK307879 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.3 OC1CCNCC1 AK-46522 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.3 OC1CCNCC1 AK-80456 [0,1,0,0,0,0|0,0,0]=1 55 B7R1.3 OC1COCOC1 AK-85976 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,0,0,0|0,0,0]=1 57 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.2 BrCCCC#N AK110352 [0,0,1,0,0,0|1,0,2]=4 59 B5R0.2 C(CCN)CN AK-46742 [0,0,1,0,0,0|1,0,0]=2 60 B5R0.2 C=CCCCO AK325629 [0,0,1,0,0,0|1,0,2]=4 61 B5R0.2 CNOCCN AK155896 [0,0,1,0,0,0|2,0,0]=3 62 B5R0.2 ClCCCCBr AK105174 [0,0,1,0,0,0|2,0,0]=3 63 B5R0.2 ICCCCCl AK116716 [0,0,1,0,0,0|2,0,0]=3 64 B5R0.2 ICCCCI AK112667 [0,0,1,0,0,0|2,0,0]=3 65 B5R0.2 N#CCCNC AK116969 [0,0,1,0,0,0|1,0,1]=3 66 B5R0.2 N#CCCNN AK129289 [0,0,1,0,0,0|2,0,1]=4 67 B5R0.2 N#CCCOC AK-46138 [0,0,1,0,0,0|1,0,2]=4 68 B5R0.2 NCCCCBr AK-51681 [0,0,1,0,0,0|1,0,0]=2 69 B5R0.2 NOCCCC AK-85835 [0,0,1,0,0,0|1,0,0]=2 70 B5R0.2 OCCCCN AK-58038 [0,0,1,0,0,0|1,0,0]=2 71 B5R0.2 OCCCNC AK112615 [0,0,1,0,0,0|1,0,0]=2 72 B7R2.13 C12CNCC1C2 AK-38211 [0,0,0,1,0,0|0,0,0]=1 73 B7R2.13 C12COCC1O2 AK-68770 [0,0,0,1,0,0|2,0,0]=3 74 B5R1.1 N1CC=CC1 AK-35945 [0,0,0,0,1,0|0,0,2]=3 75 B5R1.1 S1CNCC1 AK340267 [0,0,0,0,1,0|1,0,0]=2 76 B7R1.24 C1CNCCNC1 AK-29321 [0,0,0,0,0,1|0,0,0]=1 77 B7R1.24 O1CCNCCC1 AK-81388 [0,0,0,0,0,1|0,0,0]=1 78 B4R0.2 BrCCNC AK153488 [1,0,1,0,0,0|1,0,0]=3 79 B4R0.2 C#CCCN AK-81795 [1,0,1,0,0,0|0,0,2]=4 80 B4R0.2 C(Br)CCN AK-73071 [1,0,1,0,0,0|1,0,0]=3 81 B4R0.2 C=CCCN AK165308 [1,0,1,0,0,0|0,0,2]=4 82 B4R0.2 ClCCNC AK123132 [1,0,1,0,0,0|1,0,0]=3 83 B4R0.2 ICCCI AK126057 [1,0,1,0,0,0|2,0,0]=4 84 B4R0.2 N#CCNC AK-46627 [1,0,1,0,0,0|1,0,1]=4 85 B4R0.2 NCCCCl AK164441 [1,0,1,0,0,0|1,0,0]=3 86 B4R0.2 NNCCC AK-76893 [1,0,1,0,0,0|1,0,0]=3 87 B4R0.2 NNCCO AK-41264 [1,0,1,0,0,0|2,0,0]=4 88 B4R0.2 NOCCN AK-72573 [1,0,1,0,0,0|2,0,0]=4 89 B4R0.2 OCCCBr AK-77055 [1,0,1,0,0,0|2,0,0]=4 90 B6R0.1 CCCC(NN)=O AK-95909 [0,1,1,0,0,0|1,0,1]=4 91 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,1,0,0,0|1,0,0]=3 92 B6R0.1 O=C(NCC)CN AK-65785 [0,1,1,0,0,0|1,0,1]=4 93 B6R0.1 O=C(OC)CCN AK-46776 [0,1,1,0,0,0|1,0,1]=4 94 B6R0.1 O=C(OC)CNC AK-58375 [0,1,1,0,0,0|1,0,1]=4 95 B6R0.1 OCC(O)CNC AK-68394 [0,1,1,0,0,0|1,0,0]=3 96 B6R0.4 CC(C)NCCCl AK110294 [0,1,1,0,0,0|1,0,0]=3 97 B6R0.4 CC(C)OCCBr AK110255 [0,1,1,0,0,0|2,0,0]=4 98 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,1,0,0,0|1,0,1]=4 99 B6R0.4 CCCCB(O)O AK-44016 [0,1,1,0,0,0|2,0,0]=4 100 B6R0.4 CCCCC([O-])=O AK163205 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.4 CN(C)CCCBr AK-35747 [0,1,1,0,0,0|1,0,0]=3 102 B6R0.4 CN(C)CCCCl AK-25287 [0,1,1,0,0,0|1,0,0]=3 103 B6R0.4 CN(C)CCCCl AK113440 [0,1,1,0,0,0|1,0,0]=3 104 B6R0.4 CN(CCNC)C AK-64867 [0,1,1,0,0,0|1,0,0]=3 105 B6R0.4 NC(OCCC)=O AK116320 [0,1,1,0,0,0|1,0,1]=4 106 B6R0.4 O=C(O)CCCN AK-43987 [0,1,1,0,0,0|1,0,1]=4 107 B6R0.4 O=C(O)CCNC AK155866 [0,1,1,0,0,0|1,0,1]=4 108 B6R0.6 BrCCCCCBr AK134932 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.6 BrCCNCCBr AK-72773 [0,1,1,0,0,0|1,0,0]=3 110 B6R0.6 C(CCO)CCBr AK-72934 [0,1,1,0,0,0|1,0,0]=3 111 B6R0.6 C=CCCCCBr AK-48086 [0,1,1,0,0,0|1,0,1]=4 112 B6R0.6 CCCNCCO AK-60790 [0,1,1,0,0,0|0,0,0]=2 113 B6R0.6 C\C=C\CCCO AK-46431 [0,1,1,0,0,0|1,0,1]=4 114 B6R0.6 ClCCCCC=O AK110863 [0,1,1,0,0,0|1,0,1]=4 115 B6R0.6 ClCCNCCCl AK-44109 [0,1,1,0,0,0|1,0,0]=3 116 B6R0.6 ClCCOCCO AK114565 [0,1,1,0,0,0|2,0,0]=4 117 B6R0.6 FCCCCCBr AK-48229 [0,1,1,0,0,0|1,0,0]=3 118 B6R0.6 O=CCCCCO AK-40206 [0,1,1,0,0,0|1,0,1]=4 119 B6R0.6 OCCCCNC AK112657 [0,1,1,0,0,0|0,0,0]=2 120 B6R1.2 C1C(COC1)O AK-46125 [0,1,0,0,1,0|1,0,0]=3 121 B6R1.2 CC1CNCC1 AK-46149 [0,1,0,0,1,0|0,0,0]=2 122 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,1,0,0,1,0|0,0,0]=2 123 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,1,0,0,1,0|0,0,0]=2 124 B6R1.2 FC1CNCC1 AK-38962 [0,1,0,0,1,0|0,0,0]=2 125 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,1,0,0,1,0|0,0,0]=2 126 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,1,0,0,1,0|0,0,0]=2 127 B6R1.2 IC1COCC1 AK162325 [0,1,0,0,1,0|1,0,0]=3 128 B6R1.2 I[C@H]1COCC1 AK170642 [0,1,0,0,1,0|1,0,0]=3 129 B6R1.2 N1CCC(O)C1 AK-27184 [0,1,0,0,1,0|0,0,0]=2 130 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,1,0,0,1,0|0,0,0]=2 131 B6R1.2 NC1=NCCC1 AK-81762 [0,1,0,0,1,0|0,0,2]=4 132 B6R1.2 NC1CC=CC1 AK-44792 [0,1,0,0,1,0|0,0,2]=4 133 B6R1.2 NC1CNCC1 AK-24781 [0,1,0,0,1,0|0,0,0]=2 134 B6R1.2 NC1COCC1 AK-25569 [0,1,0,0,1,0|1,0,0]=3 135 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,1,0,0,1,0|0,0,0]=2 136 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,1,0,0,1,0|1,0,0]=3 137 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,1,0,0,1,0|0,0,0]=2 138 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,1,0,0,1,0|0,0,0]=2 139 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,1,0,0,1,0|1,0,0]=3 140 B6R1.2 O=C1CCNC1 AK-46584 [0,1,0,0,1,0|0,0,1]=3 141 B6R1.2 O=C1CCOC1 AK-27035 [0,1,0,0,1,0|1,0,1]=4 142 B6R1.2 O=C1CSCC1 AK-40135 [0,1,0,0,1,0|1,0,1]=4 143 B6R1.2 O=C1NNCC1 AK-46169 [0,1,0,0,1,0|1,0,1]=4 144 B6R1.2 O=C1NOCC1 AK122832 [0,1,0,0,1,0|1,0,1]=4 145 B6R1.2 O=C1OCCN1 AK-94050 [0,1,0,0,1,0|1,0,1]=4 146 B6R1.2 O=C1SCCN1 AK-89361 [0,1,0,0,1,0|1,0,1]=4 147 B6R1.2 OC1CNCC1 AK-53403 [0,1,0,0,1,0|0,0,0]=2 148 B6R1.2 OC1CNCC1 AK134933 [0,1,0,0,1,0|0,0,0]=2 149 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,1,0,0,1,0|0,0,0]=2 150 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,1,0,0,1,0|1,0,0]=3 151 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,1,0,0,1,0|0,0,0]=2 152 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,1,0,0,1,0|0,0,0]=2 153 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,1,0,0,1,0|1,0,0]=3 154 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,1,0,0,1,0|0,0,0]=2 155 B8R1.22 C=C1OCCCCO1 AK154780 [0,1,0,0,0,1|1,0,1]=4 156 B8R1.22 CC1NCCNCC1 AK-34218 [0,1,0,0,0,1|0,0,0]=2 157 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,0,0,1|0,0,0]=2 158 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,1,0,0,0,1|0,0,0]=2 159 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,1,0,0,0,1|1,0,1]=4 160 B8R1.22 O=C1CNCCCN1 AK-94980 [0,1,0,0,0,1|0,0,1]=3 161 B8R1.22 O=C1NCCNCC1 AK-25582 [0,1,0,0,0,1|0,0,1]=3 162 B8R1.22 O=C1NCCOCC1 AK158455 [0,1,0,0,0,1|0,0,1]=3 163 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,0,0,1|1,0,0]=3 164 B8R1.2 BrCC1CCCCC1 AK-34379 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.2 BrCC1CCOCC1 AK-33044 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.2 C#CC1CCCNC1 AK-40565 [0,2,0,0,0,0|0,0,0]=2 167 B8R1.2 C(C1CCOCC1)O AK-25438 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.2 C1C(OCCC1)ON AK-26246 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,2,0,0,0,0|0,0,0]=2 171 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 CNC1CCCNC1 AK-39351 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.2 CNC1CCNCC1 AK-81357 [0,2,0,0,0,0|0,0,0]=2 174 B8R1.2 CNC1CCOCC1 AK-29001 [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 COC1CCNCC1 AK-86244 [0,2,0,0,0,0|0,0,0]=2 176 B8R1.2 ClCC1NCCCC1 AK-78057 [0,2,0,0,0,0|0,0,0]=2 177 B8R1.2 ICC1CCCCC1 AK126313 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.2 ICC1CCOCC1 AK-51037 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.2 N#CC1CCCCC1 AK117259 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.2 N#CC1CCNCC1 AK-76369 [0,2,0,0,0,0|0,0,0]=2 181 B8R1.2 N#CC1CNCCC1 AK-84454 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.2 N#CC1CNCCO1 AK-77728 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 N#CC1NCCNC1 AK-39036 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,2,0,0,0,0|0,0,0]=2 185 B8R1.2 NCC1CCOCC1 AK-33095 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.2 NCC1OCCOC1 AK143280 [0,2,0,0,0,0|2,0,0]=4 187 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,2,0,0,0,0|2,0,0]=4 188 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.2 NNC1CCCCC1 AK-51695 [0,2,0,0,0,0|1,0,0]=3 190 B8R1.2 NNC1CCOCC1 AK-40761 [0,2,0,0,0,0|1,0,0]=3 191 B8R1.2 O=CN1CCOCC1 AK-47431 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 OCC1CCC=CC1 AK-63968 [0,2,0,0,0,0|1,0,1]=4 193 B8R1.2 OCC1CCCCC1 AK-47687 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1CNCCC1 AK-26981 [0,2,0,0,0,0|0,0,0]=2 195 B8R1.2 OCC1CNCCO1 AK-30231 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 OCC1NCCCC1 AK-47618 [0,2,0,0,0,0|0,0,0]=2 197 B8R1.2 OCC1NCCNC1 AK-42128 [0,2,0,0,0,0|1,0,0]=3 198 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,2,0,0,0,0|0,0,0]=2 199 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,2,0,0,0,0|0,0,0]=2 202 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,2,0,0,0,0|1,0,0]=3 206 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,2,0,0,0,0|0,0,0]=2 208 B8R1.2 ONC1CCCCC1 AK113259 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.2 ONC1CCCCC1 AK118974 [0,2,0,0,0,0|1,0,0]=3 210 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,2,0,0,0,0|0,0,1]=3 212 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,2,0,0,0,0|0,0,0]=2 213 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,2,0,0,0,0|0,0,0]=2 214 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,2,0,0,0,0|1,0,0]=3 222 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,2,0,0,0,0|1,0,1]=4 223 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,2,0,0,0,0|0,0,1]=3 225 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,2,0,0,0,0|0,0,1]=3 226 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,2,0,0,0,0|0,0,1]=3 227 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,2,0,0,0,0|0,0,1]=3 228 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,2,0,0,0,0|1,0,0]=3 229 B8R1.3 OC1CCC(O)CC1 AK114734 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,2,0,0,0,0|0,0,0]=2 231 B8R1.3 OC1CCN(N)CC1 AK116503 [0,2,0,0,0,0|0,0,0]=2 232 B8R1.3 OC1OCC(O)OC1 AK-39061 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,2,0,0,0,0|1,0,0]=3 234 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,2,0,0,0,0|1,0,0]=3 235 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,2,0,0,0,0|1,0,0]=3 236 B8R1.4 CC1COCC(C)N1 AK138217 [0,2,0,0,0,0|1,0,0]=3 237 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,2,0,0,0,0|1,0,1]=4 238 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,2,0,0,0,0|1,0,0]=3 239 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,2,0,0,0,0|1,0,0]=3 240 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,2,0,0,0,0|0,0,2]=4 244 B8R1.4 NC1CCCC(C1)O AK-36106 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,2,0,0,0,0|0,0,1]=3 246 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,2,0,0,0,0|0,0,0]=2 247 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,2,0,0,0,0|0,0,0]=2 248 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,2,0,0,0,0|0,0,0]=2 249 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,2,0,0,0,0|1,0,0]=3 250 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,2,0,0,0,0|0,0,1]=3 251 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,2,0,0,0,0|1,0,1]=4 252 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,2,0,0,0,0|0,0,1]=3 253 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,2,0,0,0,0|1,0,1]=4 254 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,2,0,0,0,0|0,0,1]=3 255 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,2,0,0,0,0|1,0,1]=4 256 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,2,0,0,0,0|0,0,0]=2 258 B8R1.5 BrC1CCCCC1Br AK110889 [0,2,0,0,0,0|1,0,0]=3 259 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.5 CC1=NCCCN1C AK-78909 [0,2,0,0,0,0|1,0,1]=4 261 B8R1.5 CC1CNCCC1O AK-34735 [0,2,0,0,0,0|0,0,0]=2 262 B8R1.5 CC1CNCCC1O AK-77366 [0,2,0,0,0,0|0,0,0]=2 263 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,2,0,0,0,0|1,0,0]=3 264 B8R1.5 FC1CCCCC1=O AK-79364 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.5 NC1C(F)COCC1 AK-68595 [0,2,0,0,0,0|1,0,0]=3 266 B8R1.5 NC1CCCCC1=O AK110393 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.5 NC1CCCNC1=O AK-32522 [0,2,0,0,0,0|0,0,1]=3 268 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,2,0,0,0,0|1,0,0]=3 269 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,2,0,0,0,0|1,0,0]=3 270 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,2,0,0,0,0|1,0,0]=3 272 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,2,0,0,0,0|0,0,1]=3 276 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,2,0,0,0,0|0,0,1]=3 277 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,2,0,0,0,0|1,0,1]=4 278 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,2,0,0,0,0|1,0,1]=4 279 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,2,0,0,0,0|0,0,1]=3 280 B8R1.5 O=C1NCCCC1N AK-58866 [0,2,0,0,0,0|0,0,1]=3 281 B8R1.5 O=C1NCCCC1O AK-25552 [0,2,0,0,0,0|0,0,1]=3 282 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,2,0,0,0,0|0,0,1]=3 283 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,2,0,0,0,0|1,0,1]=4 284 B8R1.5 OC1C(N)CCCC1 AK116055 [0,2,0,0,0,0|1,0,0]=3 285 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,2,0,0,0,0|1,0,0]=3 288 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,2,0,0,0,0|1,0,0]=3 289 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.72 CC1(C)CCNCC1 AK116331 [0,2,0,0,0,0|0,0,0]=2 291 B8R1.72 CC1(C)CNCCO1 AK113050 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.72 CC1(C)CNCCO1 AK128847 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.72 CC1(C)NCCOC1 AK-88532 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.72 CC1(CCOCC1)O AK-31507 [0,2,0,0,0,0|1,0,0]=3 295 B8R1.72 CC1(CNCCN1)C AK-36524 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,2,0,0,0,0|0,0,1]=3 297 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [0,2,0,0,0,0|0,1,0]=3 298 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,2,0,0,0,0|0,0,0]=2 299 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,2,0,0,0,0|1,0,0]=3 302 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,2,0,0,0,0|1,0,0]=3 303 B8R1.72 OC1(C)CCCCC1 AK161821 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,2,0,0,0,0|0,0,0]=2 305 B8R1.72 OC1(O)CCNCC1 AK109336 [0,2,0,0,0,0|0,0,0]=2 306 B6R1.3 NCCC1CC1 AK-88169 [0,0,1,1,0,0|0,0,0]=2 307 B6R1.3 NOCC1CC1 AK110167 [0,0,1,1,0,0|1,0,0]=3 308 B6R1.3 OCCN1CC1 AK-85970 [0,0,1,1,0,0|1,0,0]=3 309 B6R1.6 CNC1CCC1 AK157567 [0,0,1,1,0,0|0,0,0]=2 310 B6R1.6 CNC1CNC1 AK158168 [0,0,1,1,0,0|1,0,0]=3 311 B6R1.6 COC1CNC1 AK-30498 [0,0,1,1,0,0|1,0,0]=3 312 B6R1.6 N#CC1CNC1 AK-49711 [0,0,1,1,0,0|1,0,1]=4 313 B6R1.6 N1CC(C1)CO AK-38948 [0,0,1,1,0,0|1,0,0]=3 314 B6R1.6 NCC1CCC1 AK-40089 [0,0,1,1,0,0|0,0,0]=2 315 B6R1.6 NCC1CNC1 AK-39033 [0,0,1,1,0,0|1,0,0]=3 316 B6R1.6 NNC1CCC1 AK-51694 [0,0,1,1,0,0|1,0,0]=3 317 B6R1.6 O1CC(C1)CN AK-41045 [0,0,1,1,0,0|1,0,0]=3 318 B6R1.6 OCC1CCO1 AK-64713 [0,0,1,1,0,0|2,0,0]=4 319 B6R1.6 OCC1COC1 AK-43870 [0,0,1,1,0,0|2,0,0]=4 320 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,1,1,0,0|1,0,0]=3 321 B8R2.11 NC1C2COCC12 AK-31517 [0,1,0,1,0,0|1,0,0]=3 322 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,1,0,1,0,0|1,0,0]=3 323 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,1,0,1,0,0|1,0,0]=3 324 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,1,0,1,0,0|1,0,0]=3 325 B4R1.1 N1CCC1 AK-23880 [0,0,0,0,2,0|0,0,0]=2 326 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [0,0,0,0,0,2|1,0,1]=4 327 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [0,0,0,0,0,2|1,0,1]=4 328 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [0,0,0,0,0,2|1,0,1]=4 329 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [0,0,0,0,0,2|1,0,1]=4