0 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CC#CC(OCC)=O AK-44989 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 CCOC(=O)CCBr AK-76993 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.7 CCOC(=O)CCO AK-41251 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 C\C(OCC)=N/C#N AK162386 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 O=C(COC)COC AK116819 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.7 O=C(NCC)NCC AK116700 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 O=C(OCC)C#CBr AK127753 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 O=C(OCC)CCN AK-49791 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.7 O=C(OCC)CNC AK-44190 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.7 O=C(OCC)CNN AK-50556 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.7 O=C(OCC)OCCl AK128867 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.1 C#CCC(OC)=O AK-93397 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCCC(NN)=O AK-95909 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCC[C@H](N)CO AK-81386 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 O=C(NCC)CN AK-65785 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 O=C(NN)COC AK110451 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 O=C(OC)C#CBr AK122774 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 O=C(OC)CCN AK-46776 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 O=C(OC)CCO AK-83355 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 O=C(OC)CNC AK-58375 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 O=C(OC)OCC AK397345 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 O=C(OC)\C=C\I AK-49986 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 O=C(OCC)CO AK-98662 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.3 C(OC(C(=NO)Cl)=O)C AK-23903 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,0,0,0,0|0,0,1]=2 36 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,1,0,0,0,0|0,0,0]=1 50 B8R0.22 CCOC(OCC)CN AK601229 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.22 CCOC(OCC)CO AK-54608 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.22 O=CN(CCC)CCC AK325108 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.30 [O-]P(OCC)(OCC)=S AK545898 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,0,0,1,0,0|1,0,1]=3 74 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|0,0,0]=1 83 B5R0.1 C#CCC(O)=O AK106962 [2,0,0,0,0,0|0,0,2]=4 84 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 CC#CC(O)=O AK-49957 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.1 CCCB(O)O AK-47948 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 O=P(CCN)O AK477259 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 CNOCCN AK155896 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.3 CCC(CN)=O AK-38468 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.3 CCC(CO)=O AK149491 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.3 CNC(=O)CCl AK-82796 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 NCC(OC)=O AK-43994 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.3 NNC(OC)=O AK109362 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 O=C(OC)CO AK-98661 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,1,0,0,0,0|0,0,0]=2 106 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 O=C(OC)CC(N)=O AK127795 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.2 OCC(OC(C)C)=O AK-48397 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.3 CCCCC(NN)=O AK114657 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.3 COC(=O)CNC=O AK111067 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|0,0,0]=2 112 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,1,0,0,0,0|0,0,0]=2 116 B7R0.5 CCOC(=O)C(N)=O AK-45440 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,1,0,0,0,0|0,0,0]=2 119 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,1,0,0,0,0|0,0,0]=2 120 B7R0.5 O=C(OCC)C(N)=S AK-45462 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.10 CCC(N(OC)C)=O AK130253 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.10 CCC(N)C(OC)=O AK115477 [1,1,0,0,0,0|0,0,0]=2 123 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,1,0,0,0,0|0,0,0]=2 124 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,1,0,0,0,0|0,0,0]=2 125 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,1,0,0,0,0|0,0,0]=2 126 B7R0.10 COC(O)C(=O)OC AK-33946 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.10 O=C(OC)C(Br)CO AK142725 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.10 O=C(OC)C(N)CO AK-44174 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.1 COCCOCCN AK-67670 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,2,0,0,0,0|0,0,0]=2 140 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,2,0,0,0,0|0,0,1]=3 141 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,2,0,0,0,0|0,0,0]=2 142 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|0,0,0]=2 143 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,2,0,0,0,0|0,0,1]=3 144 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|1,0,1]=4 145 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,2,0,0,0,0|1,0,0]=3 146 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,2,0,0,0,0|0,0,0]=2 147 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [0,2,0,0,0,0|1,0,1]=4 149 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,2,0,0,0,0|0,0,0]=2 150 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,2,0,0,0,0|0,0,2]=4 151 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,2,0,0,0,0|0,0,0]=2 152 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,2,0,0,0,0|0,0,1]=3 153 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,2,0,0,0,0|0,0,0]=2 154 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|0,0,0]=2 155 B9R0.48 CCOC(=O)/C=C/N(C)C AK110935 [0,2,0,0,0,0|0,0,2]=4 156 B9R0.48 CCOC(=O)C=CN(C)C AK-51660 [0,2,0,0,0,0|0,0,2]=4 157 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|0,0,1]=3 158 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,2,0,0,0,0|0,0,1]=3 159 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,2,0,0,0,0|0,0,1]=3 160 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,2,0,0,0,0|0,0,0]=2 161 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,2,0,0,0,0|0,0,0]=2 162 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [0,2,0,0,0,0|0,0,0]=2 163 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,2,0,0,0,0|0,0,0]=2 164 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [0,2,0,0,0,0|0,0,0]=2 166 B9R0.37 O=C(OCC)C(C=O)C=O AK-40239 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.44 C(C)(C)(C)OC(CCN)=O AK-44704 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [0,2,0,0,0,0|0,0,0]=2 169 B9R0.44 CC(C)(C)OC(CNC)=O AK-49089 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [0,2,0,0,0,0|0,0,0]=2 171 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.44 CNNC(OC(C)(C)C)=O AK-98717 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.44 O=C(OC(C)(C)C)CC#N AK-40120 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.44 O=C(OC(C)(C)C)CCBr AK111517 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.44 O=C(OC(C)(C)C)CCN AK-88455 [0,2,0,0,0,0|1,0,0]=3 176 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [0,2,0,0,0,0|0,1,0]=3 177 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [0,2,0,0,0,0|1,0,0]=3 178 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.15 CCCC(CCC)C(O)=O AK128830 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.59 C=CP(OCC)(OCC)=O AK163087 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.59 ClCP(OCC)(OCC)=O AK163123 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.59 OCP(OCC)(OCC)=O AK107622 [0,2,0,0,0,0|2,0,0]=4 183 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.1 COC1=NCCC1 AK-49858 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,1,0,0|0,0,2]=4 193 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|0,0,0]=2 194 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,0]=2 202 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|1,1,0]=4 220 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 228 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.12 ClCCCC1OCCO1 AK-60697 [0,1,0,1,0,0|0,0,2]=4 233 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.33 O=C1NCCN1CCN AK164166 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,1,0,1,0,0|0,0,0]=2 245 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [0,1,0,1,0,0|0,0,0]=2 254 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [0,1,0,1,0,0|0,0,0]=2 255 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [0,1,0,1,0,0|0,0,0]=2 256 B9R1.101 O=C(C1CC1)N(OC)C AK-83231 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.132 O=C1N(C)CCC1CO AK130651 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|1,0,1]=4 263 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,2,0,0|1,0,1]=4 264 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|1,0,0]=3