0 B8R0.22 CCCN(C=O)CCC D43905 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.7 CCC[C@H](N)CCO A43513 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|1,1,1]=4 3 B7R0.12 COC(CCBr)OC B40419 [1,0,0,0,0,0|2,1,0]=4 4 B7R0.12 COCC(OC)OC T40436 [1,0,0,0,0,0|2,1,0]=4 5 B9R0.17 CCOC(CCN)OCC A43954 [0,1,0,0,0,0|2,1,0]=4 6 B9R0.17 CCOC(CCO)OCC D43950 [0,1,0,0,0,0|1,1,0]=3 7 B9R1.2 CN[C@H]1CCCN(C)C1 D63768 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,0,0,1,0,0|0,1,0]=2 9 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 M60297 [0,0,0,1,0,0|1,1,0]=3 10 B9R1.7 CN1CC[C@H](CCN)C1 M10321 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.8 BrCCC1CCCCC1 B0374 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.8 BrCCC1OCCCO1 B41524 [0,0,0,1,0,0|2,1,0]=4 14 B9R1.8 BrCCN1CCCCC1 B43882 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.8 BrCCN1CCOCC1 B32212 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.8 BrCCN1CCOCC1 B38590 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 CCCC1CCNCC1 P49579 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 CCNC1CCOCC1 E43915 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.8 CNCC1CCOCC1 M1162 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 COCC1CCNCC1 M14337 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 COCC1CCNCC1 M26475 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 ClCCN1CCCCC1 C13526 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.8 ICCC1CCCCC1 I0264 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.8 N#CCC1CCCCC1 C47050 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.8 N#CCC1CCOCC1 T43772 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.8 NCCC1CCCCC1 C49581 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.8 NCCC1CCOCC1 A1671 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.8 NCCC1CCOCC1 T46515 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.8 NCCN1CCCCC1 P22781 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.8 NCCN1CCCCC1 P46604 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 NCCN1CCOCC1 M41610 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.8 NNCC1CCOCC1 T18614 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 O=CCC1CCOCC1 T12448 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.8 OCCC1CCNCC1 P24598 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 OCCC1CCOCC1 H10319 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.8 OCCC1SCCCS1 D41570 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.8 OCCN1CCNCC1 H13372 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,0,0,1,0,0|1,0,0]=2 45 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,0,0,1,0,0|2,1,0]=4 51 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,0,0,1,0,0|1,1,0]=3 59 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,0,0,1,0,0|1,1,0]=3 60 B9R1.89 N#CC1CCCCCC1 C62451 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.175 COC1(CCO)COC1 M60309 [0,0,0,1,0,0|1,1,0]=3 64 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.1 CCC[C@H](N)CO A40443 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.1 CCC[C@H](N)CO A66421 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.1 CNC[C@H](O)CO M37886 [2,0,0,0,0,0|1,1,0]=4 68 B6R0.1 CO[C@@H](C)CCO M68623 [2,0,0,0,0,0|0,1,0]=3 69 B6R0.6 C#CCCCCO H41456 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|0,0,2]=4 71 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.6 CNCCCCBr B40429 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.6 ClCCCCCBr B39164 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.6 FCCCCCBr B37978 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.6 ICCCCCI D24633 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 NCCNCCO A68374 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.6 OCCOCCCl C60784 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.6 OCCOCCO D43939 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.9 CCC(CC)C[Mg+] E31704 [2,0,0,0,0,0|2,0,0]=4 86 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.11 CCCC[C@H](CC)CO E60781 [1,1,0,0,0,0|1,0,0]=3 90 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.11 CCN(CC)CCCCl C43946 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.11 COC(CCCCl)OC C41597 [1,1,0,0,0,0|1,1,0]=4 93 B8R0.20 COC(CO)C(Br)CO B65468 [1,1,0,0,0,0|1,1,0]=4 94 B8R1.4 CC1CC(N)CCO1 M26284 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.4 CC1CC(O)CCN1 M11589 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.4 CC1CC(O)CCO1 M14345 [1,0,0,1,0,0|0,1,0]=3 97 B8R1.4 CC1CNCC(C)C1 D39299 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.4 CN1CCC[C@H](N)C1 A0282 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 CN1CCC[C@H](N)C1 A1654 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.4 CN1CCC[C@H](N)C1 A7504 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.4 CN1CCC[C@H](O)C1 H0286 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.4 CN1CCC[C@H](O)C1 H1522 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|0,1,1]=4 107 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|0,1,1]=4 111 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|0,1,1]=4 112 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.4 NC1CCCC(O)C1 A24893 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.4 NC1CCCC(O)C1 A43477 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.6 CCOC1CC(N)C1 E15188 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.6 CN1CC(CCO)C1 M7516 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.6 NC1CN(CCO)C1 A19490 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.8 CCO[C@@H]1CCNC1 E13930 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.8 CCO[C@H]1CCNC1 E14045 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.8 CNC[C@H]1CCOC1 M1347 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.8 COC[C@@H]1CCNC1 M14792 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.8 COC[C@@H]1CCNC1 M31656 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.8 COC[C@H]1CCNC1 M14793 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.8 COC[C@H]1CCNC1 M26667 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.8 COC[C@H]1CCNC1 M41581 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.8 ClCCN1CCCC1 C41544 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.8 NCCC1CCCC1 C46503 [1,0,0,1,0,0|1,0,0]=3 138 B8R1.8 NCCN1CCCC1 P41605 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.8 NCC[C@H]1CCCO1 T1128 [1,0,0,1,0,0|1,1,0]=4 140 B8R1.8 OCC[C@H]1CCCN1 P11010 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.8 OCC[C@H]1CCNC1 P29904 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.11 CN1CCC[C@@H]1CN M8172 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.11 CN1CCC[C@@H]1CO M14129 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.11 CN1CCC[C@@H]1CO M41582 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.11 CN1CCC[C@H]1CBr B41540 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.11 CN1CCC[C@H]1CN M0297 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.11 CN1CCC[C@H]1CN M43564 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.11 CN1CCC[C@H]1CO M12480 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [1,0,0,1,0,0|1,0,0]=3 150 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|0,1,1]=4 152 B8R1.22 CN1CCCNCC1 M1344 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.22 C[C@H]1CCNCCN1 M13937 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.22 F[C@H]1CCCNCC1 F12235 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.22 O[C@H]1CCCNCC1 H12234 [1,0,0,1,0,0|1,1,0]=4 156 B8R1.66 NC1(CCO)CCC1 A61672 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.66 NC1(CCO)COC1 A15387 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 CCN1CC[C@H](O)C1 E41574 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.1 CN1CC[C@H](CO)C1 H7260 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.1 COC1CCC(N)C1 M27196 [1,0,0,1,0,0|1,1,0]=4 166 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [1,0,0,1,0,0|1,1,0]=4 168 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 BrC[C@H]1CCCOC1 B8026 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.2 C#CC1CCOCC1 E0568 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.2 C#C[C@H]1CCCOC1 E14193 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.2 CCC1COCCN1 O5554 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 CC[C@@H]1CNCCN1 E67103 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,0]=3 177 B8R1.2 CC[C@H]1CNCCN1 E13389 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 CC[C@H]1CNCCN1 E13401 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.2 CC[C@H]1CNCCN1 E65175 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 CC[C@H]1COCCN1 E22377 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 CNC1CCNCC1 M13774 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.2 CN[C@H]1CCCNC1 M43509 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 CN[C@H]1CCCNC1 M43560 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.2 COC1CCNCC1 M0482 [1,0,0,1,0,0|1,1,0]=4 186 B8R1.2 COC1CCNCC1 M1164 [1,0,0,1,0,0|1,1,0]=4 187 B8R1.2 CO[C@@H]1CCCNC1 M10269 [1,0,0,1,0,0|1,1,0]=4 188 B8R1.2 CO[C@@H]1CCCNC1 M10270 [1,0,0,1,0,0|1,1,0]=4 189 B8R1.2 CO[C@H]1CCCNC1 M10271 [1,0,0,1,0,0|1,1,0]=4 190 B8R1.2 CO[C@H]1CCCNC1 M1167 [1,0,0,1,0,0|1,1,0]=4 191 B8R1.2 CO[C@H]1CCCNC1 M7502 [1,0,0,1,0,0|1,1,0]=4 192 B8R1.2 ClC[C@H]1CCCCN1 C41543 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.2 FC[C@H]1CCCCN1 F1342 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.2 I[Zn]C1CCOCC1 T31854 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 N#CC1CCCCC1 C69224 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 N#CC1CCOCC1 C1508 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.2 NC[C@@H]1CCCOC1 T14517 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.2 NC[C@H]1CCCCN1 P68366 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.2 NC[C@H]1CCCOC1 A14515 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.2 NC[C@H]1CCCOC1 T14516 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 NNC1CCCCC1 C43508 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.2 NNC1CCOCC1 T12041 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.2 NNC1CCOCC1 T64234 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.2 O=CC1CCOCC1 T0115 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.2 OCC1CCNCC1 P0766 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.2 OC[C@@H]1CCCCN1 P7111 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.2 OC[C@@H]1CCCCO1 X24024 [1,0,0,1,0,0|0,1,0]=3 214 B8R1.2 OC[C@@H]1CCCNC1 P41579 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.2 OC[C@@H]1CCCNC1 P60999 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.2 OC[C@@H]1CCCOC1 X59846 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.2 OC[C@@H]1CNCCO1 M18586 [1,0,0,1,0,0|1,1,0]=4 218 B8R1.2 OC[C@@H]1COCCN1 H40409 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.2 OC[C@@H]1COCCN1 M41331 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.2 OC[C@@H]1COCCO1 D23560 [1,0,0,1,0,0|1,1,0]=4 221 B8R1.2 OC[C@H]1CCCCN1 H41578 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.2 OC[C@H]1CCCCN1 P7110 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.2 OC[C@H]1CCCNC1 P0762 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.2 OC[C@H]1CCCNC1 P41576 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.2 OC[C@H]1CCCOC1 H11515 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.2 OC[C@H]1CCCOC1 X59849 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.2 OC[C@H]1CNCCN1 P41389 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.2 OC[C@H]1CNCCN1 P41390 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.2 OC[C@H]1CNCCO1 M19813 [1,0,0,1,0,0|1,1,0]=4 230 B8R1.2 OC[C@H]1CNCCO1 M40407 [1,0,0,1,0,0|1,1,0]=4 231 B8R1.2 OC[C@H]1CNCCO1 M41329 [1,0,0,1,0,0|1,1,0]=4 232 B8R1.2 OC[C@H]1COCCN1 M41332 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.2 OC[C@H]1COCCN1 M61069 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 OC[C@H]1COCCN1 M61885 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.2 OC[C@H]1COCCO1 D23561 [1,0,0,1,0,0|1,1,0]=4 236 B8R1.2 OC[C@H]1COCCO1 D40389 [1,0,0,1,0,0|1,1,0]=4 237 B8R1.2 ONC1CCCCC1 C43480 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.60 CCC1(CO)COC1 E29798 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.60 CNC1(CO)COC1 M8589 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.60 COC1(CN)CCC1 M15213 [1,0,0,1,0,0|1,1,0]=4 242 B8R1.60 COC1(CO)COC1 M60398 [1,0,0,1,0,0|1,1,0]=4 243 B8R1.60 NCC1(CO)CCC1 A1325 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.60 OCC1(CO)CCC1 C6242 [1,0,0,1,0,0|2,0,0]=4 245 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.149 CC(CN)C1CCCN1C M29498 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.10 CN1CCC[C@@H](CCN)C1 M15378 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.10 CN1CCC[C@H](CCN)C1 M12449 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.10 CN1CCC[C@H](CCN)C1 M15379 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.10 CN1CCC[C@H](CCO)C1 M12328 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,1,0,1,0,0|0,1,1]=4 258 B10R1.18 OB(O)CC1CCCCC1 C43936 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.113 CC(C)N1CCC[C@H](O)C1 P47169 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.85 OCCN1CCCCCC1 A47168 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.1 CCCC1CCC(=O)CC1 P50500 [0,1,0,1,0,0|1,0,1]=4 263 B10R1.1 CN1CCC(CCN)CC1 M12447 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.1 CN1CCC(CCO)CC1 M0301 [0,1,0,1,0,0|1,0,0]=3 265 B10R1.1 CN1CCN(CCO)CC1 H43944 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.1 NC1CCC(CCO)CC1 A47170 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 A0878 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.17 BrCCOC1CCCCC1 B47143 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [0,1,0,1,0,0|1,1,0]=4 270 B10R1.17 CCCCC1CCNCC1 B0923 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.17 CCCCN1CCOCC1 B47167 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.17 COCCC1CCNCC1 M0867 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.17 COCCC1CCNCC1 M11399 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.17 COCC[C@H]1CCCCN1 M49583 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.17 ClCCCN1CCOCC1 C15701 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.17 ClCCCN1CCOCC1 C39298 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [0,1,0,1,0,0|1,1,0]=4 278 B10R1.17 OCCCC1CCNCC1 P13257 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.17 OCCCN1CCCCC1 P16239 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.17 OCCCN1CCOCC1 H23709 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.35 COC1C[C@H](O)[C@@H](CO)O1 H41565 [0,1,0,1,0,0|1,1,0]=4 282 B10R2.61 OC1CC2CCCC1N2 A14772 [0,0,0,2,0,0|1,0,0]=3 283 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A14870 [0,0,0,2,0,0|1,0,0]=3 284 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A27659 [0,0,0,2,0,0|1,0,0]=3 285 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A14871 [0,0,0,2,0,0|1,0,0]=3 286 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A27660 [0,0,0,2,0,0|1,0,0]=3 287 B10R2.62 OC1CC2CCC1NC2 H10664 [0,0,0,2,0,0|2,0,0]=4 288 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,0,0,2,0,0|1,0,0]=3 289 B10R2.71 NC1CC2CCC(C1)C2 B10764 [0,0,0,2,0,0|2,0,0]=4 290 B10R2.71 OC1CC2CCC(C1)O2 X13630 [0,0,0,2,0,0|2,0,0]=4 291 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 A0703 [0,0,0,2,0,0|2,0,0]=4 292 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 A12225 [0,0,0,2,0,0|2,0,0]=4 293 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 X13632 [0,0,0,2,0,0|2,0,0]=4 294 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 E7436 [0,0,0,2,0,0|2,0,0]=4 295 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 X13633 [0,0,0,2,0,0|2,0,0]=4 296 B10R2.109 C=CC1CCC2OC2C1 V68592 [0,0,0,2,0,0|1,0,1]=4 297 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,0,0,2,0,0|2,0,0]=4 298 B10R2.534 N[C@H]1CCCC2(CC2)C1 S13663 [0,0,0,2,0,0|2,0,0]=4 299 B10R2.160 OCC1C2CNCC1C2 H7396 [0,0,0,2,0,0|2,0,0]=4 300 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 X15279 [0,0,0,2,0,0|2,0,0]=4 301 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 X15278 [0,0,0,2,0,0|2,0,0]=4 302 B10R2.32 O[C@@H]1CCC2CNCC21 X15274 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.32 O[C@@H]1CC[C@@H]2CNC[C@@H]21 X29604 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.63 NC1CC2CC(O)C1C2 A30064 [0,0,0,2,0,0|2,0,0]=4 305 B10R2.332 O[C@H]1CCC2(CNC2)C1 A59923 [0,0,0,2,0,0|2,0,0]=4 306 B10R2.6 C1CC[C@@H](C2CC2)NC1 C49561 [0,0,0,2,0,0|2,0,0]=4 307 B10R2.484 C1CC2(C1)CCNCC2 A7182 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.484 C1CC2(CCN1)CCO2 O7160 [0,0,0,2,0,0|2,0,0]=4 309 B10R2.484 C1CC2(CCN1)CCO2 O7366 [0,0,0,2,0,0|2,0,0]=4 310 B10R2.484 C1CC2(CCN1)CCO2 X19484 [0,0,0,2,0,0|2,0,0]=4 311 B10R2.484 C1CC2(CCO1)CNC2 X12040 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.484 C1CC2(CCO1)CNC2 X19553 [0,0,0,2,0,0|2,0,0]=4 313 B10R2.484 C1CC2(CCO1)CNC2 X6148 [0,0,0,2,0,0|2,0,0]=4 314 B10R2.484 C1CC2(CCOCC2)N1 X14349 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.484 C1CCC2(CC1)CCN2 A14690 [0,0,0,2,0,0|2,0,0]=4 316 B10R2.484 C1CCC2(CCC2)NC1 A10149 [0,0,0,2,0,0|2,0,0]=4 317 B10R2.484 C1CCC2(CCC2)NC1 A8607 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.484 C1CNC[C@@]2(C1)CCO2 O8371 [0,0,0,2,0,0|2,0,0]=4 319 B10R2.60 NC1CC2CC1CC2O A30157 [0,0,0,2,0,0|2,0,0]=4 320 B10R2.146 CNC(C1CC1)C2CC2 D62578 [0,0,0,2,0,0|2,0,0]=4