0 B10R0.4 C#CCOCCOCC(=O)O P34921 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.4 CCCCCCCCB(O)O Q66526 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.4 NCCCCCCCC(=O)O P43125 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 NCCOCCOCC(=O)O P41563 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.4 O=C(O)COCCOCCO P37674 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 10123 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.2 CCCCCCCB(O)O N24230 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.2 CNCCCCCC(=O)O P42203 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.2 COCCOCCC(=O)O P41094 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 O=C(O)CCCCCCBr P38930 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.2 [N-]=[N+]=NCCCCC(=O)O P36012 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.45 C#CCCCCCCCI Q66055 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 COCCNCCCCO Q69506 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.45 NCCCCCCCCO P40196 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.30 CC(C)\C=C/CCCCC(=O)O Q65978 [0,1,0,0,0,0|0,0,2]=3 15 B11R0.40 COC(=O)CCCCCCCN P36122 [0,1,0,0,0,0|1,0,0]=2 16 B11R0.40 COC(=O)CCCCCN=[N+]=[N-] P42649 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.42 C=CCCCCCC(N)C(=O)O P42177 [0,1,0,0,0,0|0,0,2]=3 18 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O P41284 [0,1,0,0,0,0|0,0,2]=3 19 B11R0.42 C=CCCCCC[C@H](N)C(=O)O P35069 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.42 CCCCCCCC(N)C(=O)O P37523 [0,1,0,0,0,0|0,0,0]=1 21 B11R0.42 CCCCCCC[C@H](N)C(=O)O P41641 [0,1,0,0,0,0|0,0,0]=1 22 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O M22699 [0,1,0,0,0,0|3,0,0]=4 23 B11R0.148 C#CCOCCOCCC(=O)O P40283 [0,1,0,0,0,0|1,0,2]=4 24 B11R0.148 NCCOCCOCCC(=O)O P36036 [0,1,0,0,0,0|2,0,0]=3 25 B11R0.148 O=C(O)CCOCCOCCO P41642 [0,1,0,0,0,0|2,0,0]=3 26 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O P41527 [0,1,0,0,0,0|2,0,0]=3 27 B11R0.176 CCOC(=O)CCCCC(N)=O M15275 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.53 C=CC1OCCCC1C(=O)O Q57871 [0,0,0,1,0,0|1,0,2]=4 29 B11R1.53 CCC1CNCCC1C(N)=O Q65274 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.53 COC1COCCC1C(=O)O Q61463 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.57 CCN1CCCC1CC(=O)O Q59220 [0,0,0,1,0,0|1,0,0]=2 32 B11R1.57 O=C(O)CN1CCCC1CO Q60830 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.57 O=C(O)CN1CCC[C@H]1CO Q60804 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.86 CN1CCCCC1CC(=O)O Q60600 [0,0,0,1,0,0|1,0,0]=2 35 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O P45493 [0,0,0,1,0,0|1,0,0]=2 36 B11R1.90 CN1CCCC1CCC(=O)O Q60694 [0,0,0,1,0,0|1,0,0]=2 37 B11R1.90 CN1CCC[C@@H]1\C=C\C(=O)O Q52807 [0,0,0,1,0,0|1,0,2]=4 38 B11R1.90 O=C(O)CCN1CCCC1=O P36142 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.91 CC(=O)NCC1CCNCC1 Q53352 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.91 NC(=O)NCC1CCCCN1 Q60027 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.91 NC(=O)NCC1CCNCC1 Q60028 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.91 NC(=O)NCC1CCNCC1 Q60029 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.91 O=C(Cl)OCC1CCOCC1 L19743 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.91 O=C(O)C#CC1CCOCC1 Q57820 [0,0,0,1,0,0|1,0,2]=4 45 B11R1.91 O=C(O)CCC1CCCCN1 S72480 [0,0,0,1,0,0|1,0,0]=2 46 B11R1.91 O=C(O)CCC1CCCOC1 Q57648 [0,0,0,1,0,0|1,0,0]=2 47 B11R1.91 O=C(O)CCC1CCNCC1 P37756 [0,0,0,1,0,0|1,0,0]=2 48 B11R1.91 O=C(O)CCC1CCOCC1 Q52716 [0,0,0,1,0,0|1,0,0]=2 49 B11R1.91 O=C(O)CCC1CNCCO1 P41498 [0,0,0,1,0,0|2,0,0]=3 50 B11R1.91 O=C(O)CCN1CCOCC1 P36933 [0,0,0,1,0,0|2,0,0]=3 51 B11R1.91 O=C(O)CNC1CCNCC1 Q57556 [0,0,0,1,0,0|2,0,0]=3 52 B11R1.91 O=C(O)CNC1CCOCC1 P35022 [0,0,0,1,0,0|2,0,0]=3 53 B11R1.91 O=C(O)COC1CCCCC1 P36437 [0,0,0,1,0,0|1,0,0]=2 54 B11R1.91 O=C(O)COC1CCOCC1 P40856 [0,0,0,1,0,0|2,0,0]=3 55 B11R1.91 O=C(O)\C=C\C1CCCCC1 O30307 [0,0,0,1,0,0|0,0,2]=3 56 B11R1.172 O=C(O)CCCC1CC=CC1 Q52770 [0,0,0,1,0,0|0,0,2]=3 57 B11R1.172 O=C(O)CCCN1CCCC1 P35755 [0,0,0,1,0,0|1,0,0]=2 58 B11R1.172 O=C(O)\C=C\CN1CCCC1 K12321 [0,0,0,1,0,0|1,0,2]=4 59 B11R1.193 CC#CN1CCC[C@@H]1C(=O)O Q68908 [0,0,0,1,0,0|1,0,2]=4 60 B11R1.193 CC#CN1CCC[C@H]1C(=O)O Q68910 [0,0,0,1,0,0|1,0,2]=4 61 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO L21662 [0,0,0,1,0,0|3,0,0]=4 62 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO Q56177 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.742 O=C(O)CC1CCCCCC1 P38069 [0,0,0,1,0,0|0,0,0]=1 64 B8R0.4 NCCCCCCCO P40165 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.4 OCCCNCCCO F-4132 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.4 OCCCNCCCO O29405 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.4 OCCCOCCCO P39459 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.7 C#CCCCCC(=O)O P38906 [2,0,0,0,0,0|0,0,2]=4 69 B8R0.7 CNCCCCC(=O)O P35932 [2,0,0,0,0,0|1,0,0]=3 70 B8R0.7 NCCOCCC(=O)O P41214 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.74 COC(=O)CCCCCCBr P37550 [1,1,0,0,0,0|1,0,0]=3 72 B10R0.74 COC(=O)CCCCCCN P40404 [1,1,0,0,0,0|1,0,0]=3 73 B10R0.75 C=CCCCCC(N)C(=O)O P41837 [1,1,0,0,0,0|0,0,2]=4 74 B10R0.75 C=CCCCC[C@@H](N)C(=O)O P41494 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.75 C=CCCCC[C@H](N)C(=O)O P42572 [1,1,0,0,0,0|0,0,2]=4 76 B10R0.75 CCCCCC[C@@H](N)C(=O)O P42769 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.75 CCCCCC[C@H](N)C(=O)O P42483 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.78 CCCCC(=O)NCC(=O)O M15457 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.1 CCCCCCN(C)CCO Q66066 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.71 NCCCCCCCCCO P42705 [1,1,0,0,0,0|0,0,1]=3 81 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O Q69014 [0,2,0,0,0,0|1,0,1]=4 82 B12R0.1 CCCCCCCCN(C)CCO Q66067 [0,2,0,0,0,0|2,0,0]=4 83 B12R0.1 CCOC(=O)CCCCCCNC Q65869 [0,2,0,0,0,0|1,0,0]=3 84 B12R0.248 COC(=O)CCCCCCCCBr P36645 [0,2,0,0,0,0|0,0,0]=2 85 B12R0.248 COC(=O)CCCCCCN=[N+]=[N-] P42904 [0,2,0,0,0,0|2,0,0]=4 86 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O P41285 [0,2,0,0,0,0|0,0,1]=3 87 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O P42531 [0,2,0,0,0,0|0,0,1]=3 88 B12R0.251 CCCCCCCCC(N)C(=O)O P40474 [0,2,0,0,0,0|0,0,0]=2 89 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O P35862 [0,2,0,0,0,0|0,0,0]=2 90 B12R0.251 CCCCCCCC[C@H](N)C(=O)O P35861 [0,2,0,0,0,0|0,0,0]=2 91 B12R0.234 COCCOCCOCCC(=O)O P39838 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.10 CCCC1CC(=O)CCO1 Q57712 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.18 CC(=O)CC1CCOCC1 Q57610 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.18 NC(=O)CC1CCCCO1 Q57816 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.18 O=C(Cl)CC1CCOCC1 O31670 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.18 O=C(O)C=C1CCCCC1 P44624 [1,0,0,1,0,0|0,0,2]=4 97 B10R1.18 O=C(O)CC1C=CCCC1 P45691 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.18 O=C(O)CC1CCCCN1 P40091 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.18 O=C(O)CC1CCCNC1 G-6774 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.18 O=C(O)CC1CCNCC1 G-6012 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.18 O=C(O)CC1CCOCC1 C-3268 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.18 O=C(O)CC1CCSCC1 Q56854 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.18 O=C(O)CC1CNCCO1 B-1199 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.18 O=C(O)CC1COCCN1 O28132 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.18 O=C(O)CC1COCCO1 I-9074 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.18 O=C(O)CN1CCCCC1 10063 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.18 O=C(O)CN1CCNCC1 O30343 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.18 O=C(O)CN1CCOCC1 10061 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.18 O=C(O)C[C@@H]1CNCCO1 B-1197 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.18 O=C(O)C[C@@H]1COCCN1 B-1135 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.18 O=C(O)C[C@H]1CNCCO1 B-1198 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.18 O=C(O)C[C@H]1COCCN1 B-1136 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O Q53013 [1,0,0,1,0,0|1,0,0]=3 114 B10R1.39 CO[C@@H]1CCC[C@@H]1C(=O)O Q63428 [1,0,0,1,0,0|1,0,0]=3 115 B10R1.39 CO[C@@H]1CCC[C@H]1C(=O)O Q63430 [1,0,0,1,0,0|1,0,0]=3 116 B10R1.39 CO[C@@H]1CCN[C@@H]1C(=O)O Q64271 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.39 CO[C@@H]1CCN[C@H]1C(=O)O Q64273 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.39 CO[C@H]1CCC[C@@H]1C(=O)O Q63431 [1,0,0,1,0,0|1,0,0]=3 119 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O Q63429 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.39 CO[C@H]1CCN[C@@H]1C(=O)O Q64274 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.39 CO[C@H]1CCN[C@H]1C(=O)O Q64272 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.39 O=C(O)C1CCCC1CF Q57285 [1,0,0,1,0,0|1,0,0]=3 123 B10R1.61 CC(=O)C1CCCCC1F Q53666 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.61 CN1CCCC[C@@H]1C(=O)O P51590 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.61 CN1CCCC[C@H]1C(=O)O Q65384 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.61 CN1CCNCC1C(=O)O F-4533 [1,0,0,1,0,0|2,0,0]=4 127 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)O P44470 [1,0,0,1,0,0|0,0,2]=4 128 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O B-1261 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O B-1260 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.61 NC1CCCCC1C(=O)O P44627 [1,0,0,1,0,0|1,0,0]=3 131 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O O34530 [1,0,0,1,0,0|1,0,0]=3 132 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P44580 [1,0,0,1,0,0|1,0,0]=3 133 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P51569 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54502 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54503 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O P45461 [1,0,0,1,0,0|1,0,0]=3 137 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O Q70134 [1,0,0,1,0,0|1,0,0]=3 138 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34271 [1,0,0,1,0,0|1,0,0]=3 139 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34544 [1,0,0,1,0,0|1,0,0]=3 140 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54604 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54605 [1,0,0,1,0,0|2,0,0]=4 142 B10R1.61 O=C(O)C1CCCCC1O P45410 [1,0,0,1,0,0|1,0,0]=3 143 B10R1.61 O=C(O)C1CCNCC1F M23597 [1,0,0,1,0,0|2,0,0]=4 144 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q61223 [1,0,0,1,0,0|2,0,0]=4 145 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q70051 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61220 [1,0,0,1,0,0|2,0,0]=4 147 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61224 [1,0,0,1,0,0|2,0,0]=4 148 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61221 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61222 [1,0,0,1,0,0|2,0,0]=4 150 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O Q70050 [1,0,0,1,0,0|2,0,0]=4 151 B10R1.64 CC1CCCC1CC(=O)O O29673 [1,0,0,1,0,0|0,0,0]=2 152 B10R1.64 CN1CCCC1CC(=O)O Q66259 [1,0,0,1,0,0|1,0,0]=3 153 B10R1.66 CC(=O)CCC1CCCC1 Q59160 [1,0,0,1,0,0|1,0,0]=3 154 B10R1.66 O=C(O)CCC1CCNC1 P35779 [1,0,0,1,0,0|1,0,0]=3 155 B10R1.66 O=C(O)CCC1OCCO1 M15867 [1,0,0,1,0,0|2,0,0]=4 156 B10R1.66 O=C(O)CCN1CCCC1 10113 [1,0,0,1,0,0|1,0,0]=3 157 B10R1.66 O=C(O)CCN1CCCC1 P41136 [1,0,0,1,0,0|1,0,0]=3 158 B10R1.66 O=C(O)CC[C@H]1CCCN1 Q59292 [1,0,0,1,0,0|1,0,0]=3 159 B10R1.66 O=C(O)COC1CCCC1 P34810 [1,0,0,1,0,0|1,0,0]=3 160 B10R1.66 O=C(O)\C=C\C1CCCC1 Q60762 [1,0,0,1,0,0|0,0,2]=4 161 B10R1.86 CCCN1CCC1C(=O)O P48974 [1,0,0,1,0,0|1,0,0]=3 162 B10R1.86 CCCN1CC[C@H]1C(=O)O L14234 [1,0,0,1,0,0|1,0,0]=3 163 B10R1.86 O=C(O)[C@@H]1CCN1CCF L14458 [1,0,0,1,0,0|2,0,0]=4 164 B10R1.127 O=C(O)CCCC1CCC1 P45608 [1,0,0,1,0,0|0,0,0]=2 165 B10R1.348 O=C(O)C1CCCNCC1 C-2768 [1,0,0,1,0,0|1,0,0]=3 166 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Q62626 [1,0,0,1,0,0|1,0,0]=3 167 B10R1.348 O=C(O)[C@H]1CCCCCN1 Q62627 [1,0,0,1,0,0|1,0,0]=3 168 B10R1.4 CNCC1CCCCC1O Q59596 [1,0,0,1,0,0|1,0,1]=4 169 B10R1.4 O=C1CCCCN1CCO L19233 [1,0,0,1,0,0|2,0,0]=4 170 B10R1.17 BrCCCC1CCCCC1 P38702 [1,0,0,1,0,0|1,0,1]=4 171 B10R1.17 CNCCC1CCCCC1 P34718 [1,0,0,1,0,0|2,0,0]=4 172 B10R1.17 CNCCC1CCCCC1 P35769 [1,0,0,1,0,0|2,0,0]=4 173 B10R1.17 ICCCC1CCCCC1 P41134 [1,0,0,1,0,0|1,0,1]=4 174 B10R1.17 NCCCC1CCCCC1 P34722 [1,0,0,1,0,0|1,0,1]=4 175 B10R1.17 NNCCC1CCCCC1 Q59501 [1,0,0,1,0,0|2,0,0]=4 176 B10R1.17 O=CCCC1CCNCC1 Q53388 [1,0,0,1,0,0|1,0,0]=3 177 B10R1.17 O=CCCC1CCOCC1 Q57776 [1,0,0,1,0,0|1,0,0]=3 178 B10R1.17 OCCCC1CCCCC1 P42600 [1,0,0,1,0,0|0,0,1]=3 179 B10R1.17 OCCCC1CCNCC1 P36532 [1,0,0,1,0,0|1,0,1]=4 180 B10R1.17 OCCCC1CCOCC1 Q57775 [1,0,0,1,0,0|1,0,1]=4 181 B10R1.17 OCCCN1CCCCC1 Q55769 [1,0,0,1,0,0|1,0,1]=4 182 B10R1.20 CCC1CCCCC1CN Q59835 [1,0,0,1,0,0|1,0,1]=4 183 B10R1.20 COC1CCCCC1CO P40621 [1,0,0,1,0,0|1,0,1]=4 184 B10R1.20 COC1COCCC1C=O Q61466 [1,0,0,1,0,0|2,0,0]=4 185 B10R1.21 CCCCCC1CCCN1 Q59373 [1,0,0,1,0,0|1,0,1]=4 186 B10R1.21 CCCCCC1CCCN1 Q59374 [1,0,0,1,0,0|1,0,1]=4 187 B10R1.21 CNCCCC1CCCC1 P40842 [1,0,0,1,0,0|2,0,0]=4 188 B10R1.21 CNCCCC1CCCC1 P42969 [1,0,0,1,0,0|2,0,0]=4 189 B10R1.21 OCCCOC1CCCC1 Q59134 [1,0,0,1,0,0|1,0,1]=4 190 B10R1.29 CCCC[C@@H]1CNC[C@H]1O Q62157 [1,0,0,1,0,0|1,0,1]=4 191 B10R1.85 N#CCC1CCCCCC1 P37516 [1,0,0,1,0,0|1,0,1]=4 192 B10R1.85 NCCC1CCCCCC1 P38052 [1,0,0,1,0,0|1,0,1]=4 193 B12R1.107 CC(CC(=O)O)C1CCNCC1 Q59867 [0,1,0,1,0,0|1,0,0]=3 194 B12R1.107 NC(=O)CC(N)C1CCCCC1 Q59808 [0,1,0,1,0,0|1,0,0]=3 195 B12R1.107 NC(=O)CC(N)C1CCCCC1 Q59809 [0,1,0,1,0,0|1,0,0]=3 196 B12R1.107 NC(=O)CC(N)C1CCOCC1 Q57762 [0,1,0,1,0,0|2,0,0]=4 197 B12R1.107 NC(=O)CC(N)C1CCOCC1 Q57763 [0,1,0,1,0,0|2,0,0]=4 198 B12R1.107 NC(CC(=O)O)C1CCCCC1 P41804 [0,1,0,1,0,0|0,0,0]=2 199 B12R1.107 NC(CC(=O)O)C1CCOCC1 Q57659 [0,1,0,1,0,0|1,0,0]=3 200 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 P35154 [0,1,0,1,0,0|0,0,0]=2 201 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 P35153 [0,1,0,1,0,0|0,0,0]=2 202 B12R1.438 CCC1CC(CC(=O)O)CCO1 Q57799 [0,1,0,1,0,0|1,0,0]=3 203 B12R1.438 O=C(O)CN1CCCC(CO)C1 Q60857 [0,1,0,1,0,0|2,0,0]=4 204 B12R1.105 CN1CCC(COCC(=O)O)C1 Q60856 [0,1,0,1,0,0|2,0,0]=4 205 B12R1.226 CN1CCCC(OCC(=O)O)C1 Q60828 [0,1,0,1,0,0|2,0,0]=4 206 B12R1.261 CC(=O)N1CCCCC1C(=O)O O28843 [0,1,0,1,0,0|1,0,1]=4 207 B12R1.261 CC(C)C1OCCCC1C(=O)O Q57836 [0,1,0,1,0,0|1,0,0]=3 208 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O Q70120 [0,1,0,1,0,0|1,0,1]=4 209 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O Q70122 [0,1,0,1,0,0|1,0,1]=4 210 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O Q70130 [0,1,0,1,0,0|1,0,1]=4 211 B12R1.391 CC1(C)CCCC\C1=C/C(=O)O Q59493 [0,1,0,1,0,0|0,0,2]=4 212 B12R1.391 CC1(C)CNCCC1CC(=O)O Q64635 [0,1,0,1,0,0|1,0,0]=3 213 B12R1.392 CC(C)CN1CCCC1C(=O)O Q60763 [0,1,0,1,0,0|1,0,0]=3 214 B12R1.392 CC(C)C[C@@H]1CNC[C@@H]1C(=O)O Q62194 [0,1,0,1,0,0|1,0,0]=3 215 B12R1.392 CC(C)C[C@@H]1CNC[C@@H]1C(=O)O Q62195 [0,1,0,1,0,0|1,0,0]=3 216 B12R1.392 CC(C)C[C@@H]1CNC[C@H]1C(=O)O Q62197 [0,1,0,1,0,0|1,0,0]=3 217 B12R1.392 CC(C)C[C@H]1CNC[C@@H]1C(=O)O Q61809 [0,1,0,1,0,0|1,0,0]=3 218 B12R1.392 CC(C)C[C@H]1CNC[C@@H]1C(=O)O Q62193 [0,1,0,1,0,0|1,0,0]=3 219 B12R1.392 CC(C)C[C@H]1CNC[C@H]1C(=O)O Q62196 [0,1,0,1,0,0|1,0,0]=3 220 B12R1.392 CC(C)N1CCCC1CC(=O)O Q59219 [0,1,0,1,0,0|1,0,0]=3 221 B12R1.392 O=C(O)C1CCCN1CC(F)F Q60625 [0,1,0,1,0,0|2,0,0]=4 222 B12R1.27 COC(=O)CCC1CCCCO1 Q57793 [0,1,0,1,0,0|1,0,0]=3 223 B12R1.27 COC(=O)COC1CCNCC1 P41192 [0,1,0,1,0,0|2,0,0]=4 224 B12R1.371 COC(=O)CC1CCCCC1=O P48593 [0,1,0,1,0,0|1,0,1]=4 225 B12R1.371 COC(=O)CC1CCCCC1O P45293 [0,1,0,1,0,0|1,0,0]=3 226 B12R1.371 COC(=O)CC1CNCCC1C L13831 [0,1,0,1,0,0|1,0,0]=3 227 B12R1.371 COC(=O)CC1CNCCC1F Q65279 [0,1,0,1,0,0|2,0,0]=4 228 B12R1.43 CC(OC1CCCCC1)C(=O)O O30026 [0,1,0,1,0,0|1,0,0]=3 229 B12R1.43 NC(=O)C(N)CC1CCCCC1 P46427 [0,1,0,1,0,0|1,0,0]=3 230 B12R1.43 NC(CC1CCCCC1)C(=O)O P38056 [0,1,0,1,0,0|0,0,0]=2 231 B12R1.43 NC(CC1CCCCC1)C(=O)O P44690 [0,1,0,1,0,0|0,0,0]=2 232 B12R1.43 NC(CC1CCCCO1)C(=O)O Q57713 [0,1,0,1,0,0|1,0,0]=3 233 B12R1.43 NC(CC1CCCCO1)C(=O)O Q57714 [0,1,0,1,0,0|1,0,0]=3 234 B12R1.43 NC(CC1CCCOC1)C(=O)O Q52373 [0,1,0,1,0,0|1,0,0]=3 235 B12R1.43 NC(CC1CCOCC1)C(=O)O M22626 [0,1,0,1,0,0|1,0,0]=3 236 B12R1.43 NC(CN1CCCCC1)C(=O)O Q57602 [0,1,0,1,0,0|1,0,0]=3 237 B12R1.43 NC(CN1CCCCC1)C(=O)O Q57603 [0,1,0,1,0,0|1,0,0]=3 238 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O L14815 [0,1,0,1,0,0|1,0,0]=3 239 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O Q54889 [0,1,0,1,0,0|1,0,0]=3 240 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O L14816 [0,1,0,1,0,0|1,0,0]=3 241 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O Q54890 [0,1,0,1,0,0|1,0,0]=3 242 B12R1.43 O=C(O)C(O)CC1CCCCC1 P39330 [0,1,0,1,0,0|0,0,0]=2 243 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 P37004 [0,1,0,1,0,0|0,0,0]=2 244 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 P40940 [0,1,0,1,0,0|0,0,0]=2 245 B12R1.80 CCC1CCCN1C(=O)C(=O)O Q59402 [0,1,0,1,0,0|1,0,1]=4 246 B12R1.279 CCCC1CC(C(=O)O)CCO1 Q57708 [0,1,0,1,0,0|1,0,0]=3 247 B12R1.1416 CCCCOC1CC(C(=O)O)C1 P47311 [0,1,0,1,0,0|1,0,0]=3 248 B12R1.1416 COCCOC1CC(C(=O)O)C1 P47316 [0,1,0,1,0,0|2,0,0]=4 249 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 L14328 [0,1,0,1,0,0|0,0,0]=2 250 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 L14324 [0,1,0,1,0,0|0,0,0]=2 251 B12R1.54 CC(=O)CCC(=O)C1CCCC1 Q59164 [0,1,0,1,0,0|1,0,1]=4 252 B12R1.1009 CC1CCCC(C)N1CC(=O)O P36021 [0,1,0,1,0,0|1,0,0]=3 253 B12R1.3110 CC(=O)NCC1(N)CCCCC1 L19704 [0,1,0,1,0,0|2,0,0]=4 254 B12R1.21 CN1CCC(CCC(=O)O)CC1 P40054 [0,1,0,1,0,0|1,0,0]=3 255 B12R1.21 CN1CCN(CCC(=O)O)CC1 P37179 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.21 CN1CCN(CCC(=O)O)CC1 Q65894 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.21 NC1CCN(CCC(=O)O)CC1 Q57511 [0,1,0,1,0,0|1,0,0]=3 258 B12R1.125 C=C(C)CNC1CCCCC1C Q59666 [0,1,0,1,0,0|2,0,0]=4 259 B12R1.252 CC(=O)NCCC1CCCNC1 Q57546 [0,1,0,1,0,0|2,0,0]=4 260 B12R1.252 CC(O)CNCC1CCCCC1 Q59649 [0,1,0,1,0,0|1,0,1]=4 261 B12R1.252 O=C(O)CCCN1CCOCC1 P37268 [0,1,0,1,0,0|1,0,0]=3 262 B12R1.252 O=C(O)CCCN1CCOCC1 P38345 [0,1,0,1,0,0|1,0,0]=3 263 B12R1.252 O=C(O)CCNC1CCNCC1 Q57557 [0,1,0,1,0,0|1,0,0]=3 264 B12R1.252 O=C(O)CCOC1CCOCC1 Q57634 [0,1,0,1,0,0|1,0,0]=3 265 B12R1.252 O=C(O)\C=C\CN1CCCCC1 K12318 [0,1,0,1,0,0|0,0,2]=4 266 B12R1.1357 O=C(O)CCNC(=O)C1CCC1 P44831 [0,1,0,1,0,0|1,0,1]=4 267 B12R1.130 CN1CCCC1COCC(=O)O Q60895 [0,1,0,1,0,0|1,0,0]=3 268 B12R1.130 CN1CCC[C@H]1COCC(=O)O Q60802 [0,1,0,1,0,0|1,0,0]=3 269 B12R1.283 CCCC1OCCCC1C(=O)O Q57665 [0,1,0,1,0,0|0,0,0]=2 270 B12R1.1584 CCOC(=O)[C@@H]1CC[C@H]1C(=O)O P45797 [0,1,0,1,0,0|1,0,1]=4 271 B12R1.1584 CCOC(=O)[C@@H]1CC[C@H]1C(=O)O P46163 [0,1,0,1,0,0|1,0,1]=4 272 B12R1.1584 CCOC(=O)[C@H]1CC[C@@H]1C(=O)O P46152 [0,1,0,1,0,0|1,0,1]=4 273 B12R2.24 O=C1CCC2NCCCC2N1 Q61229 [0,0,0,2,0,0|2,0,0]=4 274 B12R2.24 O=C1CN2CCCCC2CN1 Q59920 [0,0,0,2,0,0|2,0,0]=4 275 B12R2.24 O=C1CNC2CCCCC2N1 Q58043 [0,0,0,2,0,0|2,0,0]=4 276 B12R2.1081 O=C1CCCN2CCCCC12 Q59929 [0,0,0,2,0,0|2,0,0]=4 277 B12R2.1081 O=C1CNCC2CCCCN12 F-4462 [0,0,0,2,0,0|2,0,0]=4 278 B12R2.1081 O=C1OCCC2CNCCN12 Q58056 [0,0,0,2,0,0|2,0,0]=4 279 B12R2.1081 O=C1OCCN2CCNCC12 Q56898 [0,0,0,2,0,0|2,0,0]=4 280 B12R2.5121 O=C1CCNC2(CCCC2)C1 Q59157 [0,0,0,2,0,0|2,0,0]=4 281 B12R2.5121 O=C1CCOC2(CCCC2)C1 L18200 [0,0,0,2,0,0|2,0,0]=4 282 B12R2.5121 O=C1CNCC2(CCCC2)N1 Q54120 [0,0,0,2,0,0|2,0,0]=4 283 B12R2.2918 O=C1CCC2(CCCNC2)N1 Q65238 [0,0,0,2,0,0|2,0,0]=4 284 B12R2.2918 O=C1CCC2(CCCNC2)O1 O29441 [0,0,0,2,0,0|1,0,0]=3 285 B12R2.2918 O=C1CCC2(CCNCC2)N1 L13072 [0,0,0,2,0,0|2,0,0]=4 286 B12R2.2918 O=C1CCC2(CCNCC2)N1 Q65200 [0,0,0,2,0,0|2,0,0]=4 287 B12R2.2918 O=C1CCC2(CCNCC2)O1 Q53867 [0,0,0,2,0,0|1,0,0]=3 288 B12R2.2918 O=C1NCC2(CCCCC2)O1 Q59561 [0,0,0,2,0,0|1,0,0]=3 289 B12R2.2918 O=C1NCC2(CCCNC2)O1 Q54141 [0,0,0,2,0,0|2,0,0]=4 290 B12R2.2918 O=C1NCC2(CCCNC2)O1 Q54142 [0,0,0,2,0,0|2,0,0]=4 291 B12R2.2918 O=C1NCC2(CCNCC2)O1 Q61860 [0,0,0,2,0,0|2,0,0]=4 292 B12R2.255 O=C(O)C1CCOCC12CC2 Q63441 [0,0,0,2,0,0|1,0,0]=3 293 B12R2.255 O=C(O)C1NCCCC12CC2 K12405 [0,0,0,2,0,0|1,0,0]=3 294 B12R2.1365 O=C(O)C1C2CCC1CNC2 L13267 [0,0,0,2,0,0|1,0,0]=3 295 B12R2.1365 O=C(O)C1C2CCC1CNC2 P43962 [0,0,0,2,0,0|1,0,0]=3 296 B12R2.1365 O=C(O)[C@@H]1[C@@H]2CC[C@H]1CNC2 P48758 [0,0,0,2,0,0|1,0,0]=3 297 B12R2.1365 O=C(O)[C@H]1[C@@H]2CC[C@H]1CNC2 P50785 [0,0,0,2,0,0|1,0,0]=3 298 B12R2.1387 O=C(O)[C@@H]1CC[C@@H]2CC[C@H]1N2 P45289 [0,0,0,2,0,0|1,0,0]=3 299 B12R2.1387 O=C(O)[C@@H]1CC[C@@H]2CC[C@H]1N2 P50632 [0,0,0,2,0,0|1,0,0]=3 300 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 P43849 [0,0,0,2,0,0|1,0,0]=3 301 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 P46511 [0,0,0,2,0,0|1,0,0]=3 302 B12R2.1392 C12CCC(CC1)[C@@H](C(=O)O)N2 L13334 [0,0,0,2,0,0|1,0,0]=3 303 B12R2.1392 C12CCN(CC1)CC2C(=O)O F-4396 [0,0,0,2,0,0|1,0,0]=3 304 B12R2.1392 NC(=O)C1CC2CCC1CC2 P46803 [0,0,0,2,0,0|1,0,0]=3 305 B12R2.1392 O=C(O)C1CC2CCC1CC2 P44644 [0,0,0,2,0,0|0,0,0]=2 306 B12R2.1392 O=C(O)C1CC2CCN1CC2 P45511 [0,0,0,2,0,0|1,0,0]=3 307 B12R2.1392 O=C(O)C1CC2CCN1CC2 P45512 [0,0,0,2,0,0|1,0,0]=3 308 B12R2.1392 O=C(O)C1CN2CCC1CC2 P45388 [0,0,0,2,0,0|1,0,0]=3 309 B12R2.1392 O=C(O)C1CN2CCN1CC2 P45696 [0,0,0,2,0,0|2,0,0]=4 310 B12R2.1392 O=C(O)C1NC2CCC1CC2 P49328 [0,0,0,2,0,0|1,0,0]=3 311 B12R2.1392 O=C(O)[C@@H]1CC2CCC1CC2 P45686 [0,0,0,2,0,0|0,0,0]=2 312 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 P45509 [0,0,0,2,0,0|1,0,0]=3 313 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 P49931 [0,0,0,2,0,0|1,0,0]=3 314 B12R2.1392 O=C(O)[C@@H]1CN2CCC1CC2 P44082 [0,0,0,2,0,0|1,0,0]=3 315 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 P45147 [0,0,0,2,0,0|0,0,0]=2 316 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 P44778 [0,0,0,2,0,0|1,0,0]=3 317 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 P45219 [0,0,0,2,0,0|1,0,0]=3 318 B12R2.1392 O=C(O)[C@H]1CN2CCC1CC2 P45414 [0,0,0,2,0,0|1,0,0]=3 319 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 P50635 [0,0,0,2,0,0|1,0,0]=3 320 B12R2.1392 [C@@H]1(C(=O)O)NC2CCC1CC2 I-9044 [0,0,0,2,0,0|1,0,0]=3 321 B12R2.3852 NC1C2CCC1C(C(=O)O)C2 P48189 [0,0,0,2,0,0|1,0,0]=3 322 B12R2.3852 O=C(O)C1CC2CCC1C2F P48199 [0,0,0,2,0,0|1,0,0]=3 323 B12R2.298 O=C(O)CC1CNCC12CC2 L22255 [0,0,0,2,0,0|1,0,0]=3 324 B12R2.1362 O=C(O)C1OCC2CCCC21 Q57419 [0,0,0,2,0,0|1,0,0]=3 325 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 Q54448 [0,0,0,2,0,0|1,0,0]=3 326 B12R2.1661 NC(=O)CC1CC2CCC1C2 P45203 [0,0,0,2,0,0|1,0,0]=3 327 B12R2.1661 O=C(Cl)CC1CC2CCC1C2 P45496 [0,0,0,2,0,0|1,0,0]=3 328 B12R2.1661 O=C(O)CC1C[C@@H]2CC[C@H]1C2 P44985 [0,0,0,2,0,0|0,0,0]=2 329 B12R2.1661 O=C(O)CN1CC2CCC1C2 P44503 [0,0,0,2,0,0|1,0,0]=3 330 B12R2.1661 O=C(O)CN1C[C@@H]2CC[C@H]1C2 P49340 [0,0,0,2,0,0|1,0,0]=3 331 B12R2.1129 NC1CC2CCC1C2C(=O)O P48208 [0,0,0,2,0,0|1,0,0]=3 332 B12R2.1154 [C@H]12CCC[C@H](CC(=O)C1)N2C L13639 [0,0,0,2,0,0|2,0,0]=4 333 B12R2.252 O=C(O)C1CC2CCCN2C1 Q60733 [0,0,0,2,0,0|1,0,0]=3 334 B12R2.252 O=C(O)C1CC2CNCC2C1 Q52014 [0,0,0,2,0,0|1,0,0]=3 335 B12R2.252 O=C(O)C1CC2OCCC2N1 Q59344 [0,0,0,2,0,0|2,0,0]=4 336 B12R2.252 O=C(O)[C@@H]1C[C@H]2CCC[C@H]2N1 Q54446 [0,0,0,2,0,0|1,0,0]=3 337 B12R2.252 [C@H]12CCC[C@H]1N[C@H](C(=O)O)C2 Q54447 [0,0,0,2,0,0|1,0,0]=3 338 B12R2.1017 NC1C[C@H]2C[C@@H]1CC2C(=O)O P48592 [0,0,0,2,0,0|1,0,0]=3 339 B12R2.93 CC1(O)CCC12CCCCC2 Q55993 [0,0,0,2,0,0|1,0,1]=4 340 B12R2.250 O=C(O)C1CC12CCCNC2 Q54858 [0,0,0,2,0,0|1,0,0]=3 341 B12R2.250 O=C(O)C1CC12CCOCC2 G-7949 [0,0,0,2,0,0|1,0,0]=3 342 B12R2.250 O=C(O)C1CC12CCSCC2 Q57928 [0,0,0,2,0,0|1,0,0]=3 343 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 Q57178 [0,0,0,2,0,0|1,0,0]=3 344 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 Q57179 [0,0,0,2,0,0|1,0,0]=3 345 B12R2.229 O=C1CCNCC2CCCN12 F-4412 [0,0,0,2,0,0|2,0,0]=4 346 B12R2.1019 O=C1NC2CCCC1CNC2 P44703 [0,0,0,2,0,0|2,0,0]=4 347 B12R2.1123 O=C(O)C1CC2CC2CC1F Q54409 [0,0,0,2,0,0|1,0,0]=3 348 B12R2.1410 O=C(O)C1CNCC12COC2 Q56000 [0,0,0,2,0,0|2,0,0]=4 349 B12R2.3066 O=C(O)C12CCCC1CNC2 Q57361 [0,0,0,2,0,0|1,0,0]=3 350 B12R2.3066 O=C(O)C12CCCN1CCC2 G-6050 [0,0,0,2,0,0|1,0,0]=3 351 B12R2.3066 O=C(O)C12CCCN1CCC2 Q60754 [0,0,0,2,0,0|1,0,0]=3