0 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,0,0,0,0,0|1,1,1]=3 4 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,0,0,0,0,0|0,1,0]=1 5 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CCCC(NN)=O AK-95909 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 O=C(NCC)CN AK-65785 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 O=C(OC)CCN AK-46776 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 O=C(OC)CCO AK-83355 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 O=C(OC)CNC AK-58375 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 O=C(OC)OCC AK397345 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.1 O=C(OCC)CO AK-98662 [1,0,0,0,0,0|0,1,0]=2 16 B6R0.3 CC(N)C(OC)=O AK-48822 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,0,0,0,0,0|1,1,1]=4 18 B6R0.3 CCC(N(C)C)=O AK105976 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 O=C(N(C)C)CN AK-33842 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 O=C(N(C)C)CN AK-39204 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,0,0,0,0,0|1,1,1]=4 25 B8R0.2 CC(C)C(N(OC)C)=O AK108098 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.3 C(OC(C(=NO)Cl)=O)C AK-23903 [0,1,0,0,0,0|1,1,1]=4 27 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,0,0,0,0|0,1,1]=3 30 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,1,0,0,0,0|0,1,1]=3 35 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [0,1,0,0,0,0|1,1,1]=4 36 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.14 CCOC(=O)C(C)(C)N AK-54013 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.5 FC1CCCCC1=O AK-79364 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.5 NC1CCCCC1=O AK110393 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.5 NC1CCCNC1=O AK-32522 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,0,0,1,0,0|1,1,1]=4 47 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.5 O=C1NCCCC1N AK-58866 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.5 O=C1NCCCC1O AK-25552 [0,0,0,1,0,0|1,1,0]=3 50 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,0,0,1,0,0|2,0,1]=4 54 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,0,0,0,0,1|2,0,0]=3 55 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,0,0,0,0,1|0,1,0]=2 56 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,0,0,0,0,1|1,0,0]=2 57 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,0,0,0,0,1|1,1,1]=4 58 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,0,0,0,0,1|1,0,2]=4 59 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,0,0,0,0,1|1,1,1]=4 60 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,0,0,0,0,1|0,1,0]=2 61 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C[C@@H](N)COC AK-72611 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.3 CCC(CN)=O AK-38468 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 CCC(CO)=O AK149491 [2,0,0,0,0,0|0,1,0]=3 66 B5R0.3 CNC(=O)CCl AK-82796 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 NCC(OC)=O AK-43994 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 NNC(OC)=O AK109362 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|1,1,0]=4 70 B5R0.3 O=C(OC)CO AK-98661 [2,0,0,0,0,0|0,1,0]=3 71 B5R0.5 CC(C)C(N)=O AK-80490 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(O)C([O-])=O AK114515 [2,0,0,0,0,0|0,1,1]=4 73 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.5 C[C@H](N)C(N)=O AK-46287 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.5 C[C@H](O)C([O-])=O AK121770 [2,0,0,0,0,0|0,1,1]=4 77 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.5 N[C@@H](C)C(O)=O AK650445 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.2 OCC(OC(C)C)=O AK-48397 [1,1,0,0,0,0|0,1,0]=3 84 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,1,0,0,0,0|0,0,0]=2 87 B7R0.7 CC#CC(OCC)=O AK-44989 [1,1,0,0,0,0|0,0,1]=3 88 B7R0.7 CCOC(=O)CCBr AK-76993 [1,1,0,0,0,0|0,0,0]=2 89 B7R0.7 CCOC(=O)CCO AK-41251 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.7 O=C(COC)COC AK116819 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.7 O=C(NCC)NCC AK116700 [1,1,0,0,0,0|1,0,0]=3 92 B7R0.7 O=C(OCC)C#CBr AK127753 [1,1,0,0,0,0|0,0,2]=4 93 B7R0.7 O=C(OCC)CCN AK-49791 [1,1,0,0,0,0|0,0,0]=2 94 B7R0.7 O=C(OCC)CNC AK-44190 [1,1,0,0,0,0|0,0,0]=2 95 B7R0.7 O=C(OCC)CNN AK-50556 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.7 O=C(OCC)OCCl AK128867 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.7 O=C(OCC)\C=C\I AK117013 [1,1,0,0,0,0|0,0,2]=4 98 B7R0.10 CCC(N(OC)C)=O AK130253 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.10 CCC(N)C(OC)=O AK115477 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,1,0,0,0,1|1,0,0]=3 105 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,1,0,0,0,1|0,1,1]=4 106 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,1,0,0,0,1|1,0,0]=3 107 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,1,0,0,0,1|1,0,0]=3 108 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [0,1,0,0,0,1|0,1,0]=3 109 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,1,0,0,0,1|1,0,0]=3 110 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,1|0,1,1]=4 111 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,1,0,0,0,1|0,1,0]=3 112 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,1,0,0,0,1|0,1,1]=4 113 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [0,1,0,0,0,1|1,0,0]=3 114 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [0,1,0,0,0,1|0,1,0]=3 115 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [0,1,0,0,0,1|1,1,0]=4 116 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [0,1,0,0,0,1|1,1,0]=4 117 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [0,1,0,0,0,1|1,0,0]=3 118 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [0,1,0,0,0,1|1,0,0]=3 119 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [0,2,0,0,0,0|0,1,0]=3 120 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,2,0,0,0,0|0,1,1]=4 121 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [0,2,0,0,0,0|1,0,0]=3 124 B9R0.37 O=C(OCC)C(C=O)C=O AK-40239 [0,2,0,0,0,0|0,1,1]=4 125 B9R0.7 O=C(O)CNC(C(S)C)=O AK501603 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.57 C[C@H](N)C(OC(C)(C)C)=O AK-46060 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.57 NN(C(OC(C)(C)C)=O)C AK-43605 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.57 N[C@H](C)C(OC(C)(C)C)=O AK-49965 [0,2,0,0,0,0|1,0,0]=3 130 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,1,0,0|0,0,2]=4 133 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|0,0,0]=2 134 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,0]=2 139 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,1,0]=4 140 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|1,1,0]=4 145 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|0,1,0]=3 150 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|1,1,0]=4 156 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|1,1,0]=4 158 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|1,1,0]=4 160 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|0,1,0]=3 162 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|1,1,0]=4 163 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,1,0,1|2,0,0]=4 164 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,0,0,1,0,1|2,0,0]=4 165 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.40 O=C1C(C)(C)CNCC1 AK154223 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.40 O=C1NCCNC1(C)C AK-45892 [0,1,0,1,0,0|2,0,0]=4 177 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|1,0,0]=3 178 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,0,0,0,0,2|0,1,1]=4 179 B9R0.48 CCOC(=O)/C=C/N(C)C AK110935 [0,0,0,0,0,2|2,0,0]=4 180 B9R0.48 CCOC(=O)C=CN(C)C AK-51660 [0,0,0,0,0,2|2,0,0]=4