0 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 C(OC)C(O)COC AK-46679 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 CC#CC(OCC)=O AK-44989 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 CCOC(=O)CCBr AK-76993 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCOC(=O)CCO AK-41251 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 NC(COC)COC AK-79017 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 O=C(COC)COC AK116819 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 O=C(NCC)NCC AK116700 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 O=C(OCC)C#CBr AK127753 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.7 O=C(OCC)CCN AK-49791 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.7 O=C(OCC)CNC AK-44190 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.7 O=C(OCC)CNN AK-50556 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.7 O=C(OCC)OCCl AK128867 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 C#CCC(OC)=O AK-93397 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCCC(NN)=O AK-95909 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCC[C@H](N)CO AK-81386 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 O=C(NCC)CN AK-65785 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 O=C(NN)COC AK110451 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 O=C(OC)CCN AK-46776 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 O=C(OC)CCO AK-83355 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 O=C(OC)CNC AK-58375 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 O=C(OC)OCC AK397345 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 O=C(OCC)CO AK-98662 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 BrCCNCCBr AK-72773 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 ClCCNCCCl AK-44109 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 ClCCOCCO AK114565 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.22 O=CN(CCC)CCC AK325108 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.30 O=S(CCO)(CCO)=O AK114621 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 NC1CCCC(C1)O AK-36106 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,1,0,0|1,0,1]=3 69 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.8 BrCCN1CCCC1 AK-87121 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.8 ClCCN1CCCC1 AK-36224 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,0,0,1,0,0|1,0,1]=3 85 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,0,0,1,0,0|0,0,0]=1 86 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|0,0,2]=3 95 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|1,0,0]=2 99 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 103 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.3 CCC(CN)=O AK-38468 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.3 CCC(CO)=O AK149491 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.3 CNC(=O)CCl AK-82796 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.3 NCC(OC)=O AK-43994 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.3 O=C(OC)CO AK-98661 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.2 OCC(OC(C)C)=O AK-48397 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.3 CCCCC(NN)=O AK114657 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.10 CCC(N(OC)C)=O AK130253 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.10 CCC(N)C(OC)=O AK115477 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.10 COC(O)C(=O)OC AK-33946 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.10 O=C(OC)C(Br)CO AK142725 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.10 O=C(OC)C(N)CO AK-44174 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.1 BrCCNCCCN AK-32244 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.1 C(CCCBr)CCBr AK-48407 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.1 COCCOCCN AK-67670 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.1 ICCCCCCI AK165087 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.1 NCCCCCCN AK129024 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.1 NCCCNCCO AK-50569 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.1 OCCCCCCBr AK110830 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.1 OCCCCCCCl AK-47999 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.1 OCCCCCCN AK-84482 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.4 CC(O)CNCCO AK142435 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|1,0,0]=3 164 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|1,0,1]=4 166 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,2,0,0,0,0|0,0,0]=2 167 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,2,0,0,0,0|0,0,1]=3 169 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,2,0,0,0,0|0,0,1]=3 172 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,2,0,0,0,0|1,0,0]=3 180 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [0,2,0,0,0,0|1,0,0]=3 181 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.44 C(C)(C)(C)OC(CCN)=O AK-44704 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.44 CC(C)(C)OC(CNC)=O AK-49089 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.44 O=C(OC(C)(C)C)CCBr AK111517 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.44 O=C(OC(C)(C)C)CCN AK-88455 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [0,2,0,0,0,0|1,1,0]=4 192 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.15 CCCC(CCC)C(O)=O AK128830 [0,2,0,0,0,0|0,0,1]=3 196 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.1 COC1=NCCC1 AK-49858 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 237 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.8 CCCC1CCNCC1 AK135014 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.12 BrCCCN1CCCC1 AK140161 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.12 ClCCCN1CCCC1 AK-35019 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.12 NCCCN1CCCC1 AK-73082 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.12 OCCCN1CCCC1 AK-87069 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.15 N#CC1CNCCC1=O AK-64477 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.15 O=C1C(C#N)CNCC1 AK-33897 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.33 CN1C(CCN)CCC1 AK-32183 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.33 O=C1NCCN1CCN AK164166 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.33 OCCC1N(C)CCC1 AK-32182 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|0,0,1]=3 257 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|0,0,0]=2 263 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|0,0,0]=2 264 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.101 O=C(C1CC1)N(OC)C AK-83231 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.132 O=C1N(C)CCC1CO AK130651 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,1,0,0|0,0,0]=2 282 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|0,0,1]=3 285 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,1,0,0|1,0,1]=4 286 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,2,0,0|1,0,1]=4 287 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|2,0,0]=4 288 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,2,0,0|0,0,2]=4 289 B9R2.87 NC(C1CC1)C2CC2 AK105477 [0,0,0,2,0,0|1,0,1]=4