0 B5R0.2 BrCCCC#N AK110352 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C(CCN)CN AK-46742 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C=CCCCO AK325629 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 CNOCCN AK155896 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 ClCCCCBr AK105174 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 ICCCCCl AK116716 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 ICCCCI AK112667 [0,0,0,0,0,0|3,0,1]=4 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|1,1,1]=3 10 B5R0.2 NCCCCBr AK-51681 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 NOCCCC AK-85835 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 OCCCCN AK-58038 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 OCCCNC AK112615 [0,0,0,0,0,0|1,0,2]=3 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|2,0,1]=4 16 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 C=CC[Pd]Cl AK327212 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 N#CCNC AK-46627 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 NOCC=C AK208821 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.2 NOCCN AK-72573 [1,0,0,0,0,0|2,1,0]=4 27 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 OCC(O)CNC AK-68394 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(OCCBr)=O AK165045 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.4 CCCCB(O)O AK-44016 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CCCCC([O-])=O AK163205 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.4 CN(C)CCCBr AK-35747 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CN(C)CCCCl AK-25287 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.4 CN(C)CCCCl AK113440 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 CN(CCNC)C AK-64867 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 NC(OCCC)=O AK116320 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 O=C(N)NCCO AK121931 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.4 O=C(O)CCC#N AK-47909 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.4 O=C(O)CCCCl AK113749 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.4 O=C(O)CCCN AK-43987 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 O=C(O)CCNC AK155866 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.4 O=C(O)CCOC AK-88477 [0,1,0,0,0,0|0,1,0]=2 46 B6R0.4 OC(=O)CCC#C AK-32594 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.6 BrCCCCCBr AK134932 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.6 C(CCO)CCBr AK-72934 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.6 C=CCCCCBr AK-48086 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.6 CCCNCCO AK-60790 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.6 C\C=C\CCCO AK-46431 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.6 ClCCCCC=O AK110863 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.6 FCCCCCBr AK-48229 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.6 O=CCCCCO AK-40206 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.6 OCCCCNC AK112657 [0,1,0,0,0,0|1,0,2]=4 57 B6R1.1 C1CC=CCN1 AK-91689 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.1 C1CCNNC1 AK-81490 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.1 C1CSCCN1 AK110355 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.1 N1CCOCC1 AK116221 [0,0,0,1,0,0|2,1,0]=4 61 B6R1.1 O1CNCCC1 AK-82623 [0,0,0,1,0,0|1,0,2]=4 62 B6R1.1 O1NCCCC1 AK156568 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|0,1,2]=4 66 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|1,1,1]=4 74 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|1,1,1]=4 79 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|1,1,1]=4 81 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|1,1,1]=4 84 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|1,0,0]=2 86 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|0,1,0]=2 87 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|0,0,0]=1 88 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|1,1,0]=3 90 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|1,0,2]=4 91 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.2 OC1CNCC1 AK134933 [0,0,0,1,0,0|1,0,2]=4 97 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,1,0,0|1,0,2]=4 98 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|0,1,2]=4 99 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,1,0,0|1,0,2]=4 100 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|0,1,2]=4 102 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.3 NCCC1CC1 AK-88169 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.3 NOCC1CC1 AK110167 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.6 CNC1CCC1 AK157567 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.6 CNC1CNC1 AK158168 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.6 COC1CNC1 AK-30498 [0,0,0,1,0,0|2,1,0]=4 108 B6R1.6 N#CC1CNC1 AK-49711 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.6 N1CC(C1)CO AK-38948 [0,0,0,1,0,0|1,0,2]=4 110 B6R1.6 NCC1CCC1 AK-40089 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.6 NCC1CNC1 AK-39033 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.6 NNC1CCC1 AK-51694 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.6 O1CC(C1)CN AK-41045 [0,0,0,1,0,0|1,1,1]=4 114 B6R1.6 OCC1COC1 AK-43870 [0,0,0,1,0,0|0,1,2]=4 115 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 116 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|1,1,0]=4 118 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|1,1,0]=4 120 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 C#CCC(O)=O AK106962 [1,1,0,0,0,0|0,0,2]=4 122 B5R0.1 C(C#N)C(N)=O AK-73131 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 CC#CC(O)=O AK-49957 [1,1,0,0,0,0|0,0,2]=4 125 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|0,0,2]=4 126 B5R0.1 CCCB(O)O AK-47948 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.1 CN(CCBr)C AK-35597 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 CNCC(N)=O AK-90265 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.1 C[C@@H](N)CC#N AK203337 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|0,1,1]=4 133 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,0,2]=4 134 B5R0.1 C[C@H](N)CC#N AK173140 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.1 N=C(N)COC AK-86295 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.1 NCCC(N)=O AK-26218 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.1 O=C(N)CSC AK-34209 [1,1,0,0,0,0|0,0,0]=2 142 B5R0.1 O=CCN(C)C AK136086 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 O=CCN(C)C AK172998 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.1 O=P(CCN)O AK477259 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.3 C=C[C@H](N)CO AK-78923 [1,1,0,0,0,0|1,1,0]=4 147 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|0,0,2]=4 148 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|0,0,2]=4 149 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|1,1,0]=4 152 B5R0.3 O=C[C@H](O)CO AK122382 [1,1,0,0,0,0|0,1,0]=3 153 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|0,1,1]=4 158 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,2,0,0,0,0|0,1,1]=4 160 B7R0.3 CCCCC(NN)=O AK114657 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.3 COC(=O)CNC=O AK111067 [0,2,0,0,0,0|0,1,1]=4 162 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.3 O=C(OC)CCCBr AK-94853 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.3 O=C(OC)CCNC AK-85857 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.5 C#CCC(N)C(O)=O AK323755 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.5 COCC(N)C(O)=O AK-87739 [0,2,0,0,0,0|0,1,0]=3 176 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,2,0,0,0,0|0,1,0]=3 178 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,2,0,0,0,0|0,1,0]=3 182 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,2,0,0,0,0|0,1,0]=3 185 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,2,0,0,0,0|0,1,0]=3 186 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,2,0,0,0,0|0,0,0]=2 189 B7R0.4 C#CCCCC(O)=O AK112298 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.4 CC(OCCCCl)=O AK167628 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.4 COCCCC(O)=O AK-76729 [0,2,0,0,0,0|0,1,0]=3 193 B7R0.4 NC(OCCCC)=O AK116656 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.4 O=C(N)COCCCl AK113880 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.4 O=C(O)CCCCBr AK113954 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.4 O=C(O)CCCCCl AK139351 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.4 O=C(O)CCCCO AK198817 [0,2,0,0,0,0|1,0,0]=3 198 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,2,0,0,0,0|0,0,1]=3 201 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,2,0,0,0,0|1,0,0]=3 202 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.8 CNCCS([O-])(=O)=O AK102435 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.1 C=CCCCCCBr AK-40908 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.1 C=CCCCCNC AK142907 [0,2,0,0,0,0|2,0,0]=4 207 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,1]=4 208 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,0,0]=3 209 B5R1.2 FC1CNC1 AK-35869 [1,0,0,1,0,0|2,0,0]=4 210 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|1,1,0]=4 211 B5R1.2 NC1CNC1 AK-32674 [1,0,0,1,0,0|2,0,0]=4 212 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|1,1,0]=4 213 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|1,1,0]=4 214 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|0,1,0]=3 215 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|1,0,0]=3 216 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|0,0,0]=2 217 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|1,0,0]=3 218 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,0,1]=4 219 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|0,1,1]=4 220 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,1]=4 221 B5R1.3 NNC1CC1 AK-77851 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|0,1,0]=3 243 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|0,1,0]=3 244 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|0,0,0]=2 245 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|0,1,1]=4 248 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|0,1,0]=3 249 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|0,0,0]=2 250 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.3 O=C1NCCCN1 AK-40132 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.3 O=C1NCCNC1 AK-26132 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|0,0,0]=2 254 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|0,1,0]=3 255 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,0,0]=2 256 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,1,0,0|1,1,0]=4 274 B7R1.10 N#CC1CC(C1)=O AK-33992 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.25 O=CC1(C)COC1 AK-64338 [0,1,0,1,0,0|0,1,0]=3 277 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.18 O=C(C1CCC1)N AK117552 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.18 O=C(C1CNC1)O AK-21934 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,1,0,1,0,0|2,0,0]=4