0 B5R0.3 BrCC(=C)CBr AK101659 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C(C(CN)O)N AK-49066 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C(C(CO)=C)O AK-73078 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C=CC(NC)=O AK115593 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=C[C@H](N)CO AK-78923 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CC(CCl)CBr AK112650 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(CN)=O AK-38468 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 CCC(CO)=O AK149491 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 CCC(N)CO AK-57405 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[C@@H](O)CO AK110229 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CC[C@H](N)CO AK-86460 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CC[C@H](O)CO AK110230 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 CNC(=O)CCl AK-82796 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 NCC(OC)=O AK-43994 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 NNC(=O)CO AK-89508 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 NNC(OC)=O AK109362 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 O=C(CO)CO AK-46682 [0,0,0,0,0,0|0,0,0]=0 17 B5R0.3 O=C(OC)CO AK-98661 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 O=C[C@H](O)CO AK122382 [0,0,0,0,0,0|0,0,4]=4 19 B5R0.3 OC(CCl)CN AK123258 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 OC[C@@H](O)CN AK-35849 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.3 OC[C@H](O)CN AK-36032 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.3 O[C@H](CCl)CN AK123304 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 N=C(N)CCl AK113548 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 ON=C(Br)Br AK-21976 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.1 C#CCC(OC)=O AK-93397 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 C#C\C(C)=C/CO AK116959 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CCCC(NN)=O AK-95909 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 O=C(NN)COC AK110451 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 O=C(OC)CNC AK-58375 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.1 OCC(O)CNC AK-68394 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 CC(N)C(OC)=O AK-48822 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|0,0,3]=4 83 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.8 OCC(C)(C)CO AK109182 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.8 OCC(F)(F)CN AK175624 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.9 OCC(CO)CO AK-81647 [0,1,0,0,0,0|0,0,2]=3 88 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 O[C@@H]1CCOC1 AK-36591 [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|1,0,2]=4 102 B6R1.6 N1CC(C1)CO AK-38948 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.6 O1CC(C1)CN AK-41045 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.6 OCC1CCO1 AK-64713 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.6 OCC1COC1 AK-43870 [0,0,0,1,0,0|1,0,1]=3 106 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.7 OCC1(N)CC1 AK-32789 [0,0,0,1,0,0|2,0,1]=4 108 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,1]=4 112 B3R0.2 CB(O)O AK-47269 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,0]=3 114 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|0,0,0]=2 115 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|0,0,0]=2 116 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|0,0,1]=3 117 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 C#CCC(O)=O AK106962 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 C(C#N)C(N)=O AK-73131 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.1 CC#CC(O)=O AK-49957 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 CNCC(N)=O AK-90265 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 N=C(N)COC AK-86295 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.1 NCCC(N)=O AK-26218 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.1 NOCC(C)=C AK550273 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 O=C(N)CSC AK-34209 [1,1,0,0,0,0|1,1,0]=4 134 B5R0.1 O=P(CCN)O AK477259 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|0,0,2]=4 136 B5R0.4 NCP(O)(O)=O AK384725 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,1,0,0,0,0|0,0,1]=3 138 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|0,0,1]=3 141 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.5 O=C(O)C(O)=O AK116416 [1,1,0,0,0,0|0,0,1]=3 149 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.2 NOCCCC AK-85835 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.2 OCCCCN AK-58038 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.2 OCCCNC AK112615 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.7 C(OC)C(O)COC AK-46679 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.7 NC(COC)COC AK-79017 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.7 O=C(COC)COC AK116819 [0,2,0,0,0,0|0,0,0]=2 172 B7R0.7 O=C(NCC)NCC AK116700 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.7 O=C(OCC)CNC AK-44190 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.7 O=C(OCC)CNN AK-50556 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.7 O=C(OCC)OCCl AK128867 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.10 OC\C(Br)=C(Br)\CO AK146734 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.14 CC(C)(O)C(NN)=O AK-98279 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.18 NC(CO)(CO)CO AK-41164 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.18 NC(CO)(CO)CO AK-48850 [0,2,0,0,0,0|0,0,2]=4 194 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|1,0,1]=4 195 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|1,0,1]=4 196 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|1,0,1]=4 197 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|0,0,0]=2 198 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|1,0,0]=3 199 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|0,1,0]=3 200 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|2,0,0]=4 201 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|0,0,2]=4 202 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|1,0,1]=4 205 B7R1.1 OCC1OCOC1 AK112875 [0,1,0,1,0,0|0,0,2]=4 206 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,1,0,0|0,0,2]=4 210 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|1,0,0]=3 217 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|1,1,0]=4 219 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|1,0,0]=3 223 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.3 O=C1NCCNC1 AK-26132 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|1,1,0]=4 226 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.3 OC1COCOC1 AK-85976 [0,1,0,1,0,0|0,0,2]=4 228 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|1,1,0]=4 229 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.25 C(C1(COC1)C)O AK-27014 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.25 OCC1(N)COC1 AK140937 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.29 OCC1(CO)CC1 AK-35012 [0,1,0,1,0,0|1,0,1]=4