0 B5R0.2 BrCCCC#N AK110352 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C(CCN)CN AK-46742 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.2 C=CCCCO AK325629 [0,0,0,0,0,0|0,1,2]=3 3 B5R0.2 CNOCCN AK155896 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 ClCCCCBr AK105174 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 ICCCCCl AK116716 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 ICCCCI AK112667 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 N#CCCNC AK116969 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 N#CCCNN AK129289 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 N#CCCOC AK-46138 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 NCCCCBr AK-51681 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 NOCCCC AK-85835 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 OCCCCN AK-58038 [0,0,0,0,0,0|1,1,0]=2 13 B5R0.2 OCCCNC AK112615 [0,0,0,0,0,0|1,1,0]=2 14 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 C#CCCN AK-81795 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 N#CCNC AK-46627 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.2 NOCCN AK-72573 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,1,0]=3 26 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|0,1,2]=4 27 B6R0.1 CCCC(NN)=O AK-95909 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|0,1,0]=2 29 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.1 OCC(O)CNC AK-68394 [0,1,0,0,0,0|1,1,0]=3 36 B6R0.4 CC(C)NCCCl AK110294 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.4 CC(C)OCCBr AK110255 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.4 CC(OCCBr)=O AK165045 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 CCCCB(O)O AK-44016 [0,1,0,0,0,0|1,1,0]=3 41 B6R0.4 CCCCC([O-])=O AK163205 [0,1,0,0,0,0|0,1,1]=3 42 B6R0.4 CN(C)CCCBr AK-35747 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.4 CN(C)CCCCl AK-25287 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 CN(C)CCCCl AK113440 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.4 CN(CCNC)C AK-64867 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.4 NC(OCCC)=O AK116320 [0,1,0,0,0,0|1,1,1]=4 47 B6R0.4 O=C(O)CCCCl AK113749 [0,1,0,0,0,0|1,1,1]=4 48 B6R0.4 O=C(O)CCCN AK-43987 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.4 O=C(O)CCNC AK155866 [0,1,0,0,0,0|1,1,1]=4 50 B6R0.4 O=C(O)CCOC AK-88477 [0,1,0,0,0,0|1,1,1]=4 51 B6R0.6 BrCCCCCBr AK134932 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.6 BrCCNCCBr AK-72773 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.6 C(CCO)CCBr AK-72934 [0,1,0,0,0,0|0,1,0]=2 54 B6R0.6 C=CCCCCBr AK-48086 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.6 CCCNCCO AK-60790 [0,1,0,0,0,0|0,1,0]=2 56 B6R0.6 C\C=C\CCCO AK-46431 [0,1,0,0,0,0|0,1,1]=3 57 B6R0.6 ClCCCCC=O AK110863 [0,1,0,0,0,0|0,1,1]=3 58 B6R0.6 ClCCNCCCl AK-44109 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.6 ClCCOCCO AK114565 [0,1,0,0,0,0|1,1,0]=3 60 B6R0.6 FCCCCCBr AK-48229 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.6 O=CCCCCO AK-40206 [0,1,0,0,0,0|0,1,1]=3 62 B6R0.6 OCCCCNC AK112657 [0,1,0,0,0,0|0,1,0]=2 63 B6R1.1 C1CC=CCN1 AK-91689 [0,0,0,1,0,0|1,0,2]=4 64 B6R1.1 C1CCNNC1 AK-81490 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.1 C1CSCCN1 AK110355 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.1 N1CCOCC1 AK116221 [0,0,0,1,0,0|1,1,0]=3 67 B6R1.1 O1CNCCC1 AK-82623 [0,0,0,1,0,0|1,1,0]=3 68 B6R1.1 O1NCCCC1 AK156568 [0,0,0,1,0,0|1,1,0]=3 69 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,0,0,1,0,0|1,0,0]=2 70 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,0,0,1,0,0|1,0,0]=2 71 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|1,1,0]=3 72 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,1,0,0|1,1,0]=3 81 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|1,0,0]=2 82 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|2,0,0]=3 85 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|1,1,1]=4 92 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,1,1]=4 93 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,1,1]=4 94 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,1,0,0|1,1,0]=3 96 B6R1.2 OC1CNCC1 AK134933 [0,0,0,1,0,0|1,1,0]=3 97 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|1,1,0]=3 99 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,1,0,0|1,1,0]=3 100 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,1,0,0|1,1,0]=3 101 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|1,1,0]=3 102 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,1,0,0|1,1,0]=3 103 B6R1.3 NCCC1CC1 AK-88169 [0,0,0,1,0,0|1,0,0]=2 104 B6R1.3 NOCC1CC1 AK110167 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.3 OCCN1CC1 AK-85970 [0,0,0,1,0,0|1,1,0]=3 106 B6R1.6 CNC1CCC1 AK157567 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.6 CNC1CNC1 AK158168 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.6 COC1CNC1 AK-30498 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.6 N#CC1CNC1 AK-49711 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.6 N1CC(C1)CO AK-38948 [0,0,0,1,0,0|1,1,0]=3 111 B6R1.6 NCC1CCC1 AK-40089 [0,0,0,1,0,0|1,0,0]=2 112 B6R1.6 NCC1CNC1 AK-39033 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.6 NNC1CCC1 AK-51694 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.6 O1CC(C1)CN AK-41045 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.6 OCC1CCO1 AK-64713 [0,0,0,1,0,0|1,1,0]=3 116 B6R1.6 OCC1COC1 AK-43870 [0,0,0,1,0,0|1,1,0]=3 117 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,0,1,0,0|1,1,0]=3 118 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,0]=3 120 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 121 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,1,0]=4 124 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|0,1,0]=3 125 B5R0.1 CCCB(O)O AK-47948 [1,1,0,0,0,0|1,1,0]=4 126 B5R0.1 CN(CCBr)C AK-35597 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 C[C@@H](N)CC#N AK203337 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|0,0,0]=2 129 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|0,1,0]=3 130 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,1,0]=3 132 B5R0.1 C[C@H](N)CC#N AK173140 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|0,0,0]=2 134 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|0,1,0]=3 135 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.3 C(C(CN)O)N AK-49066 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.3 CC(CCl)CBr AK112650 [1,1,0,0,0,0|2,0,0]=4 138 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|0,1,1]=4 140 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|0,1,0]=3 141 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|0,1,0]=3 142 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|0,1,0]=3 143 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|0,1,0]=3 144 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.3 OC(CCl)CN AK123258 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.3 OC[C@@H](O)CN AK-35849 [1,1,0,0,0,0|1,1,0]=4 147 B5R0.3 OC[C@H](O)CN AK-36032 [1,1,0,0,0,0|1,1,0]=4 148 B5R0.3 O[C@H](CCl)CN AK123304 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,2,0,0,0,0|0,1,1]=4 150 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,2,0,0,0,0|0,1,1]=4 151 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,2,0,0,0,0|0,1,1]=4 152 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,2,0,0,0,0|0,1,0]=3 153 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,2,0,0,0,0|0,1,0]=3 154 B7R0.3 CCCCC(NN)=O AK114657 [0,2,0,0,0,0|0,1,1]=4 155 B7R0.3 CCCCC(O)CO AK161793 [0,2,0,0,0,0|0,1,0]=3 156 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,2,0,0,0,0|0,1,0]=3 157 B7R0.3 O=C(OC)CCCBr AK-94853 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,2,0,0,0,0|0,1,1]=4 159 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,2,0,0,0,0|0,1,1]=4 160 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,2,0,0,0,0|0,1,1]=4 161 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.7 C(OC)C(O)COC AK-46679 [0,2,0,0,0,0|1,1,0]=4 163 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|0,1,1]=4 165 B7R0.7 NC(COC)COC AK-79017 [0,2,0,0,0,0|1,1,0]=4 166 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,2,0,0,0,0|0,1,0]=3 168 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,2,0,0,0,0|1,1,0]=4 170 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.12 CCN(CC)CCO AK109514 [0,2,0,0,0,0|1,1,0]=4 172 B7R0.12 CCN(CCS)CC AK308969 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.4 CC(O)CNCCO AK142435 [0,2,0,0,0,0|0,1,0]=3 174 B7R0.4 CC(OCCCCl)=O AK167628 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.4 CCCCCB(O)O AK-46118 [0,2,0,0,0,0|0,1,0]=3 176 B7R0.4 CN(C)CCCC#N AK-59094 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.4 COCCCC(O)=O AK-76729 [0,2,0,0,0,0|0,1,1]=4 178 B7R0.4 NC(OCCCC)=O AK116656 [0,2,0,0,0,0|0,1,1]=4 179 B7R0.4 O=C(O)CCCCBr AK113954 [0,2,0,0,0,0|0,1,1]=4 180 B7R0.4 O=C(O)CCCCCl AK139351 [0,2,0,0,0,0|0,1,1]=4 181 B7R0.4 O=C(O)CCCCO AK198817 [0,2,0,0,0,0|0,1,1]=4 182 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [0,2,0,0,0,0|1,1,0]=4 183 B7R0.8 CCCC[N+](C)(C)C AK-59431 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.8 CS(=O)(=O)CCCO AK-69410 [0,2,0,0,0,0|1,1,0]=4 185 B7R0.8 F[B-](F)(CCCC)F AK175289 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.8 ICCCC(F)(F)F AK164510 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.1 BrCCCCCC#N AK-81731 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.1 BrCCNCCCN AK-32244 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.1 C(CCCBr)CCBr AK-48407 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.1 C(CCCCC#C)O AK-30082 [0,2,0,0,0,0|0,1,0]=3 191 B7R0.1 C=CCCCCCBr AK-40908 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.1 C=CCCCCNC AK142907 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.1 COCCOCCN AK-67670 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.1 ICCCCCCI AK165087 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.1 NCCCCCCN AK129024 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.1 NCCCNCCO AK-50569 [0,2,0,0,0,0|0,1,0]=3 197 B7R0.1 NCCSSCCN AK-47593 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.1 NCC[Se][Se]CCN AK327611 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.1 OCCCCCCBr AK110830 [0,2,0,0,0,0|0,1,0]=3 200 B7R0.1 OCCCCCCCl AK-47999 [0,2,0,0,0,0|0,1,0]=3 201 B7R0.1 OCCCCCCN AK-84482 [0,2,0,0,0,0|0,1,0]=3 202 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,0,0]=3 203 B5R1.2 FC1CNC1 AK-35869 [1,0,0,1,0,0|2,0,0]=4 204 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|2,0,0]=4 205 B5R1.2 NC1CNC1 AK-32674 [1,0,0,1,0,0|2,0,0]=4 206 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|2,0,0]=4 207 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|2,0,0]=4 208 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,1,0]=4 209 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|1,1,0]=4 210 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,0]=3 211 B5R1.3 NNC1CC1 AK-77851 [1,0,0,1,0,0|2,0,0]=4 212 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [1,0,0,1,0,0|2,0,0]=4 213 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.1 BrCC1CCCC1 AK-88361 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,1,0,0|1,0,0]=3 216 B7R1.1 BrCC1OCCO1 AK110803 [0,1,0,1,0,0|1,1,0]=4 217 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,1,0,0|0,1,0]=3 218 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,1,0,0|1,1,0]=4 220 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,1,0,0|1,1,0]=4 222 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,1,0,0|1,1,0]=4 223 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.1 CSC1=NCCS1 AK-33966 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 N#CC1CCNC1 AK-85980 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.1 N#C[C@@H]1CNCC1 AK171889 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.1 NNC1CCCC1 AK-44319 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.1 OCC1CC=CC1 AK-48070 [0,1,0,1,0,0|0,1,1]=4 235 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,1,0,0|0,1,0]=3 236 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,1,0,0|0,1,0]=3 237 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,1,0,0|0,1,0]=3 238 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,1,0,0|0,1,0]=3 239 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|0,1,0]=3 240 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,1,0,0|0,1,0]=3 241 B7R1.1 OCC1OCCO1 AK159792 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.1 OCC1OCOC1 AK112875 [0,1,0,1,0,0|1,1,0]=4 243 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,1,0,0|0,1,0]=3 244 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,1,0,0|0,1,0]=3 245 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,1,0,0|0,1,0]=3 246 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,1,0,0|0,1,0]=3 247 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|0,1,0]=3 248 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,1,0,0|0,1,0]=3 249 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,1,0,0|0,1,0]=3 252 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,1,0,0|0,1,0]=3 255 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|0,1,1]=4 256 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,1,0,0|0,1,0]=3 257 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,1,0,0|0,1,0]=3 260 B7R1.3 BrC1CCCCC1 AK-77686 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.3 BrC1CCNCC1 AK-47522 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.3 BrC1CCOCC1 AK-29943 [0,1,0,1,0,0|0,1,0]=3 263 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,1,0,0|0,1,1]=4 264 B7R1.3 C1C(CCOC1)N AK-25779 [0,1,0,1,0,0|0,1,0]=3 265 B7R1.3 C1CC(CCO1)O AK-25581 [0,1,0,1,0,0|0,1,0]=3 266 B7R1.3 CC1CNCCO1 AK100672 [0,1,0,1,0,0|0,1,0]=3 267 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,1,0,1,0,0|0,1,0]=3 270 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,1,0,0|1,0,0]=3 272 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,1,0,1,0,0|0,1,0]=3 274 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,1,0,0|1,0,0]=3 277 B7R1.3 ClC1CCNCC1 AK-26089 [0,1,0,1,0,0|1,0,0]=3 278 B7R1.3 IC1CCOCC1 AK-29944 [0,1,0,1,0,0|0,1,0]=3 279 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,1,0,0|0,0,0]=2 281 B7R1.3 NC1CNCCC1 AK-33202 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.3 NN1CCCCC1 AK109255 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,1,0,1,0,0|0,1,0]=3 285 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,1,0,1,0,0|0,1,0]=3 289 B7R1.3 O1CCCC(C1)O AK-32117 [0,1,0,1,0,0|0,1,0]=3 290 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|0,1,1]=4 291 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|0,1,1]=4 292 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|0,1,1]=4 293 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|0,0,1]=3 294 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,1,0,0|0,1,1]=4 295 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,1,0,0|0,1,1]=4 296 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|0,0,1]=3 297 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.3 OC1CCNCC1 AK-46522 [0,1,0,1,0,0|0,1,0]=3 299 B7R1.3 OC1CCNCC1 AK-80456 [0,1,0,1,0,0|0,1,0]=3 300 B7R1.3 OC1COCOC1 AK-85976 [0,1,0,1,0,0|1,1,0]=4 301 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,1,0,0|0,1,0]=3 302 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,1,0,0|0,1,0]=3 303 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,1,1]=4 304 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,1,0,0|0,1,0]=3 305 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,1,0,0|0,1,0]=3 306 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,1,0,0|0,1,0]=3 307 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,1,0,0|0,1,0]=3 308 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,1,0,0|0,1,0]=3 312 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,1,0,0|0,1,0]=3 313 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,1,0,0|1,1,0]=4 314 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,1,0,0|1,1,0]=4 316 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,1,0,0|0,1,0]=3 317 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.6 CCOC1CNC1 AK-71516 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.6 CCOC1CNC1 AK-92383 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.6 COCC1CNC1 AK-40838 [0,1,0,1,0,0|1,1,0]=4 321 B7R1.6 OCCN1CCC1 AK116274 [0,1,0,1,0,0|0,1,0]=3 322 B7R1.10 N[C@H]1C[C@H](OC)C1 AK171868 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.25 C(C1(COC1)C)O AK-27014 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.25 CC1(CBr)COC1 AK-77190 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.25 NCC1(C)COC1 AK-46160 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.25 OCC1(N)COC1 AK140937 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.7 BrCC#CC1CC1 AK187661 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.14 CC1(C)SCCN1 AK-33914 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,1,0,0|1,1,0]=4 332 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,1,0,0|1,1,0]=4 333 B7R1.14 FC1(F)CNCC1 AK-29913 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,1,0,1,0,0|0,1,0]=3 335 B7R1.18 O=C(C1CCC1)N AK117552 [0,1,0,1,0,0|0,1,1]=4 336 B7R1.18 OB(C1CCC1)O AK-84302 [0,1,0,1,0,0|1,1,0]=4 337 B7R1.24 C1CNCCNC1 AK-29321 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.24 O1CCNCCC1 AK-81388 [0,1,0,1,0,0|0,1,0]=3 339 B7R2.13 C12CNCC1C2 AK-38211 [0,0,0,2,0,0|1,0,0]=3 340 B7R2.13 C12COCC1O2 AK-68770 [0,0,0,2,0,0|1,1,0]=4