0 B6R0.6 BrCCCCCBr AK134932 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCNCCBr AK-72773 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.6 C(CCO)CCBr AK-72934 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 C=CCCCCBr AK-48086 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCCNCCO AK-60790 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.6 C\C=C\CCCO AK-46431 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 ClCCCCC=O AK110863 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 ClCCNCCCl AK-44109 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 ClCCOCCO AK114565 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 FCCCCCBr AK-48229 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 O=CCCCCO AK-40206 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.6 OCCCCNC AK112657 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 BrCCCC#N AK110352 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C(CCN)CN AK-46742 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 C=CCCCO AK325629 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 CNOCCN AK155896 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 ClCCCCBr AK105174 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 ICCCCCl AK116716 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 ICCCCI AK112667 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 NCCCCBr AK-51681 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.2 OCCCCN AK-58038 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.2 OCCCNC AK112615 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 BrCCCCCC#N AK-81731 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.1 BrCCNCCCN AK-32244 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.1 C(CCCBr)CCBr AK-48407 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.1 C(CCCCC#C)O AK-30082 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.1 C=CCCCCCBr AK-40908 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.1 COCCOCCN AK-67670 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.1 ICCCCCCI AK165087 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.1 NCCCCCCN AK129024 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 NCCCNCCO AK-50569 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.1 NCCSSCCN AK-47593 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.1 NCC[Se][Se]CCN AK327611 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.1 OCCCCCCBr AK110830 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 OCCCCCCCl AK-47999 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.1 OCCCCCCN AK-84482 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.3 CCCCC(O)CO AK161793 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.4 CC(O)CNCCO AK142435 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.4 CCCCCB(O)O AK-46118 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.4 O=C(O)CCCCBr AK113954 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 O=C(O)CCCCCl AK139351 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.4 O=C(O)CCCCO AK198817 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 BrCC1CCCC1 AK-88361 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.1 BrCC1OCCO1 AK110803 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.1 C(C1CCCC1)O AK-46653 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.1 ClCC1=NCCN1 AK-48901 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.1 NCC1CCCC1 AK-27938 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.1 NCC1NCCC1 AK-26146 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.1 OCC1CCCN1 AK-40306 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.1 OCC1CNCC1 AK-26048 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.1 OCC1CNCC1 AK-38963 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 OCC1CNCC1 AK105115 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 OCC1COCC1 AK-51698 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 OCC1OCCC1 AK106959 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.1 OCC1OCCO1 AK159792 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.1 OCC1OCOC1 AK112875 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 OC[C@H]1COCC1 AK129134 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,0,0,1,0,0|0,0,0]=1 109 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,0,0,1,0,0|0,0,0]=1 110 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.6 OCCN1CCC1 AK116274 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.24 C1CNCCNC1 AK-29321 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.24 O1CCNCCC1 AK-81388 [0,0,0,1,0,0|1,0,0]=2 115 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.2 C(Br)CCN AK-73071 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.2 ICCCI AK126057 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.2 N#CCNC AK-46627 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.2 NCCCCl AK164441 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 NNCCO AK-41264 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.2 OCCCBr AK-77055 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.1 C=CC[C@@H](N)CO AK684514 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.1 CCC[C@H](N)CO AK-81386 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 O=C(OC)CCO AK-83355 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.1 OCC(O)CNC AK-68394 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CCCCB(O)O AK-44016 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|0,0,2]=4 134 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,1,0,0,0,0|0,0,2]=4 137 B8R0.1 C#CCCC(CCO)=O AK544192 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.4 C(CCCCO)CCBr AK-41195 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.4 OCCCCCCC#C AK-48557 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.4 OCCCCCCCO AK-44723 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.4 OCCCNCCCO AK-33226 [0,2,0,0,0,0|0,0,0]=2 142 B8R0.6 C=CC(O)CCCCC AK164470 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.7 CC(O)CCCCCC AK113715 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.7 O=C(O)CCCCCN AK144762 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.7 O=C(O)CCCCCO AK-41893 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.7 O=C(O)COCCOC AK-33517 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.7 O=C([O-])CCCCCO AK142914 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.7 O=C([O-])CCNCCN AK545212 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.22 CCN(CCO)CCO AK-54555 [0,2,0,0,0,0|0,0,0]=2 154 B8R0.22 O=CN(CCC)CCC AK325108 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.30 O=S(CCO)(CCO)=O AK114621 [0,2,0,0,0,0|1,0,0]=3 156 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,1,0,0|2,0,0]=4 158 B6R1.1 C1CSCCN1 AK110355 [1,0,0,1,0,0|0,1,0]=3 159 B6R1.1 N1CCOCC1 AK116221 [1,0,0,1,0,0|0,0,0]=2 160 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,1,0,0|1,0,0]=3 161 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,1,0,0|1,0,1]=4 163 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,1,0,0|1,0,1]=4 164 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,0,0]=3 165 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,0]=3 166 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,0]=3 167 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,0]=3 168 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,1,0,0|1,0,0]=3 169 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,1,0,0|1,0,0]=3 170 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,1,0,0|1,0,0]=3 171 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|0,0,0]=2 174 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,0]=3 175 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|1,0,0]=3 176 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|1,0,0]=3 178 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|2,0,0]=4 179 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|1,0,0]=3 180 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|1,0,0]=3 181 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|0,0,2]=4 183 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|0,0,2]=4 184 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|0,0,0]=2 185 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|0,0,0]=2 186 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|0,0,0]=2 187 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,0,0]=3 188 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|0,0,0]=2 189 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|0,0,0]=2 190 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,0,0]=3 191 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|0,0,0]=2 192 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.3 OCCN1CC1 AK-85970 [1,0,0,1,0,0|0,0,0]=2 194 B6R1.6 N1CC(C1)CO AK-38948 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.6 OCC1CCO1 AK-64713 [1,0,0,1,0,0|0,0,0]=2 197 B6R1.6 OCC1COC1 AK-43870 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.6 OC[C@H]1NCC1 AK-59466 [1,0,0,1,0,0|0,0,0]=2 199 B8R1.2 C#CC1CCCNC1 AK-40565 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.2 CNC1CCCNC1 AK-39351 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.2 N#CC1CNCCC1 AK-84454 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.2 N#CC1CNCCO1 AK-77728 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.2 N#CC1NCCNC1 AK-39036 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.2 OCC1NCCNC1 AK-42128 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,1,0,0|0,0,0]=2 220 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,1,0,0|0,0,0]=2 226 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,1,0,1,0,0|0,0,0]=2 227 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.8 BrCCN1CCCC1 AK-87121 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.8 ClCCN1CCCC1 AK-36224 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.8 N#CCC1CCCO1 AK-77313 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.22 CC1NCCNCC1 AK-34218 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.22 O=C1NCCNCC1 AK-25582 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.22 O=C1NCCOCC1 AK158455 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [0,1,0,1,0,0|0,0,0]=2 268 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [0,1,0,1,0,0|0,0,0]=2 271 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.3 OC1OCC(O)OC1 AK-39061 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.52 CC1(CN)OCCO1 AK406240 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,1,0,1,0,0|0,1,1]=4 298 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.72 CC1(C)CNCCO1 AK113050 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.72 CC1(C)CNCCO1 AK128847 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.72 CC1(CNCCN1)C AK-36524 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,1,0,0|2,0,0]=4 307 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,2,0,0|1,0,0]=3 308 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,2,0,0|2,0,0]=4 309 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,2,0,0|1,0,0]=3 310 B8R2.24 C1(NC2CC2)CC1 AK-87035 [0,0,0,2,0,0|2,0,0]=4