0 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.1 CCOC(=O)CCCI AK102411 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.1 CCOC(=O)CCCN AK-47111 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.3 C=CCC(N)C(OC)=O AK164017 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.3 CCOC(=O)C(N)CO AK-81620 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.33 O=C(OCC)C(C#N)CC#N AK109079 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.11 O=C(C1CC=NN1)OCC AK-80964 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.11 O=C([C@H]1NCSC1)OCC AK-81296 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.118 O=C1[C@@H](C)OC([C@H](O1)C)=O AK-57455 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [0,0,0,1,0,0|1,0,1]=3 32 B10R1.140 O=C(C1CC(C1)=O)OCC AK-68248 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,0,0,1,0,0|1,0,0]=2 35 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,0,0,1,0,0|0,0,0]=1 36 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,0,0,1,0,0|1,0,0]=2 37 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,0,0,0,0,1|2,0,1]=4 38 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,0,0,0,0,1|2,0,1]=4 39 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,0,0,0,0,1|2,0,1]=4 40 B7R0.3 CCCCC(NN)=O AK114657 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 O=C(OC)CCCBr AK-94853 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.3 O=C(OC)CCNC AK-85857 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.7 CC#CC(OCC)=O AK-44989 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 O=C(OCC)CNN AK-50556 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.7 O=C(OCC)OCCl AK128867 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 CC(C)C(OCCl)=O AK163215 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.5 CCOC(=O)C(C)N AK-46063 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.5 COCC(N)C(O)=O AK-87739 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.5 NC(CCO)C(O)=O AK-41514 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.5 O=C(O)C(N)CCN AK-44002 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.5 O=C(O)C(O)CCN AK-75839 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 CCC(N(OC)C)=O AK130253 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.10 CCC(N)C(OC)=O AK115477 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.10 COC(O)C(=O)OC AK-33946 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.10 O=C(OC)C(Br)CO AK142725 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.10 O=C(OC)C(N)CO AK-44174 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [1,1,0,0,0,0|0,0,2]=4 92 B9R0.5 NCCCCC(=O)OCC AK-41723 [1,1,0,0,0,0|0,0,0]=2 93 B9R0.5 O=C(OCC)COCCCl AK-86508 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [1,1,0,0,0,0|0,0,2]=4 95 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,1,0,0,0,0|0,0,1]=3 97 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.23 C[C@@H](NC(C)=O)C(OC)=O AK-80485 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.23 C[C@H](NC(C)=O)C(OC)=O AK-80482 [1,1,0,0,0,0|1,0,1]=4 111 B9R0.23 ClCC([C@@H](N)CC(C)C)=O AK-89151 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [1,1,0,0,0,0|1,0,0]=3 114 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [1,1,0,0,0,0|0,0,1]=3 115 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [0,2,0,0,0,0|1,0,1]=4 116 B11R0.68 O=C(OC(C)C)[C@@H](N)CCSC AK111193 [0,2,0,0,0,0|1,0,0]=3 117 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC AK-49745 [0,2,0,0,0,0|1,0,0]=3 118 B11R0.191 CCCCC(CC)C(=O)OCC AK-82117 [0,2,0,0,0,0|0,0,0]=2 119 B11R0.186 C(=O)(OC(C)(C)C)N(C)CCN AK-21899 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.186 OCCN(C(OC(C)(C)C)=O)C AK-29422 [0,2,0,0,0,0|2,0,0]=4 121 B11R0.61 CCOC(OCC)[PH](=O)OCC AK101523 [0,2,0,0,0,0|2,0,0]=4 122 B11R0.61 O=C(OCC)C(OCC)OCC AK-41480 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.2 O=C1NCCC(CO)C1 AK170344 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.2 O=C1NCCN(CC)C1 AK480961 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.73 O=C(C1CNC1)OCC AK-51603 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.3 O=C1N(C)CCCN1C AK-36216 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.5 CN1CCNCCC1=O AK-63341 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.5 CN1CCNCCC1=O AK-77181 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [1,0,0,1,0,0|0,0,2]=4 142 B9R1.11 O=C(C1CNCC1)OC AK-72873 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.11 O=C(C1COCC1)OC AK137950 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.11 O=C(C1NCCC1)OC AK-81380 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [1,0,0,1,0,0|1,0,0]=3 149 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [1,0,0,1,0,0|1,0,0]=3 150 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [1,0,0,1,0,0|0,0,0]=2 151 B9R1.82 COC(=O)C1CC(=C)C1 AK-64988 [1,0,0,1,0,0|0,0,2]=4 152 B9R1.82 COC(=O)C1CC(Cl)C1 AK-87277 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.82 O=C(C1CC(C1)=O)OC AK-77056 [1,0,0,1,0,0|1,0,1]=4 154 B9R1.82 O=C(C1CC(O)C1)OC AK-64949 [1,0,0,1,0,0|1,0,0]=3 155 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC AK129632 [1,0,0,1,0,0|1,0,0]=3 156 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC AK155438 [1,0,0,1,0,0|1,0,0]=3 157 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC AK137942 [1,0,0,1,0,0|1,0,0]=3 158 B9R1.101 O=C(OC)C(N)C1CC1 AK142881 [1,0,0,1,0,0|1,0,0]=3 159 B9R1.101 O=C(OC)[C@@H](N)C1CC1 AK173986 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.186 COC(=O)C1(N)CCC1 AK-34107 [1,0,0,1,0,0|1,0,0]=3 161 B9R1.186 O=C(C1(C)COC1)OC AK119025 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.186 O=C(C1(N)CCC1)OC AK-77069 [1,0,0,1,0,0|1,0,0]=3 163 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [0,0,0,1,0,1|1,0,0]=3 164 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,0,0,1,0,1|1,0,0]=3 165 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,0,0,1,0,1|1,0,1]=4 166 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,0,0,1,0,1|1,0,0]=3 167 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,0,0,1,0,1|1,0,1]=4 168 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [0,1,0,1,0,0|0,0,1]=3 169 B11R1.15 O=C(C1CC(NC1)=O)OCC AK-35807 [0,1,0,1,0,0|1,0,1]=4 170 B11R1.15 O=C(N1CC(CC1)=O)OCC AK-44543 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [0,1,0,1,0,0|1,0,1]=4 173 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [0,1,0,1,0,0|0,0,0]=2 174 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [0,1,0,1,0,0|0,0,0]=2 175 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [0,1,0,1,0,0|1,0,0]=3 176 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [0,1,0,1,0,0|0,0,0]=2 177 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [0,1,0,1,0,0|0,0,0]=2 178 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [0,1,0,1,0,0|0,0,0]=2 179 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [0,1,0,1,0,0|1,0,0]=3 180 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [0,1,0,1,0,0|0,0,0]=2 181 B11R1.16 O=C(C1NCCNC1)OCC AK-82337 [0,1,0,1,0,0|1,0,0]=3 182 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [0,1,0,1,0,0|0,0,0]=2 183 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [0,1,0,1,0,0|0,0,0]=2 184 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [0,1,0,1,0,0|0,0,0]=2 185 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [0,1,0,1,0,0|0,0,0]=2 186 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [0,1,0,1,0,0|0,0,0]=2 187 B11R1.819 O=C(C1(O)CCCC1)OCC AK122366 [0,1,0,1,0,0|0,0,0]=2 188 B11R1.86 CN(C)CC1CCCCC1=O AK110988 [0,1,0,1,0,0|2,0,0]=4 189 B11R1.821 O=C(C1CC(F)(F)C1)OCC AK550730 [0,1,0,1,0,0|1,0,0]=3 190 B11R1.831 O=C(C1(CN)CCC1)OCC AK-51276 [0,1,0,1,0,0|0,0,0]=2 191 B11R2.3 O=C1NCCC12CNCC2 AK122730 [0,0,0,2,0,0|2,0,0]=4 192 B11R2.202 O=C1C2C(CCC2)C(O1)=O AK-81699 [0,0,0,2,0,0|1,0,1]=4