0 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 BrCCOC1CCCCC1 C77571 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 C#CCCN1CCCCC1 AT23226 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 COCCC1CCNCC1 38531 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 COCC[C@H]1CCCCN1 C71587 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 OCCC[C@H]1CCCCN1 59724 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.18 CC(C)CN1CCNCC1 62866 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.18 CC(C)C[C@H]1COCCN1 77681 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.18 CC(C)NC1CCNCC1 W15212 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 CN(C)CC1CCCCC1 78298 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.18 CN(C)C[C@H]1CNCCN1 AB10341 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 CN(C)C[C@H]1COCCN1 70898 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 NC(=S)NC1CCCCC1 T70976 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 OB(O)CC1CCCCC1 W17229 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O C76628 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14543 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 D76701 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.118 COC(CN1CCOCC1)OC F17542 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.194 CC(C)(C=O)CN1CCCCC1 P18637 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.194 CC(C)(CO)CN1CCCCC1 71091 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [0,0,1,0,0,0|2,0,1]=4 27 B12R2.24 CC1CCC2CCCCC2C1 D93419 [0,0,0,1,0,0|1,0,0]=2 28 B12R2.24 C[C@H]1CN2CCOCC2CN1 D95223 [0,0,0,1,0,0|2,0,0]=3 29 B12R2.32 CO[C@@H]1C[C@H]2CNCCN2C1 P13421 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.1772 OCC1CC2(CCNCC2)C1 P21103 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.2058 C1CC(CN2CCNCC2)C1 D76632 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.2058 C1CC(OC2CCNCC2)C1 72744 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.2918 CN1CC[C@@]2(CCCNC2)C1 84041 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.2918 O=C1CC2(CCNCC2)CN1 26301 [0,0,0,1,0,0|2,0,1]=4 35 B12R2.2918 O=C1CC2(CCNCC2)CN1 79608 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 P11463 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,0,0,0,1,0|2,0,1]=4 42 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,0,0,0,1,0|2,0,1]=4 43 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,0,0,0,1,0|2,0,1]=4 44 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,0,0,0,1,0|0,0,0]=1 45 B9R1.8 BrCCC1CCNCC1 AC8208 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 BrCCC1CCOCC1 56518 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 BrCCN1CCCCC1 O10261 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 CCCN1CCOCC1 A12323 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 CNCC1CCCCC1 F20557 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.8 CNCC1CCNCC1 28113 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 CNC[C@H]1CCCOC1 P11000 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 CNC[C@H]1CCCOC1 P16260 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 CNC[C@H]1COCCO1 AC1133 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 CNC[C@H]1COCCO1 F31295 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CNC[C@H]1COCCO1 F51993 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 CNC[C@H]1COCCO1 F51998 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 COC[C@H]1CCCCN1 39467 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 COC[C@H]1CCCCN1 71896 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 COC[C@H]1CCCNC1 F11112 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 ClCCC1CCNCC1 AC3007 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 NCCC1CCCCC1 24486 [2,0,0,0,0,0|0,0,0]=2 63 B9R1.8 NCCC1CCCCC1 55664 [2,0,0,0,0,0|0,0,0]=2 64 B9R1.8 NCCC1CCOCC1 71435 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.8 NCCC1CCSCC1 AC3550 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 NCCN1CCCCO1 72735 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 NNCC1CCOCC1 P12620 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 O=CCC1CCCCC1 11388 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.8 OCCC1CCOCC1 62381 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 OCC[C@H]1CCCCN1 62347 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 OCC[C@H]1CCCCN1 88407 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 OCC[C@H]1CCCCN1 F30243 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 OCC[C@H]1CCCNC1 W17542 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.28 BrCCCCC1CCNCC1 56722 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 BrCCCCN1CCCCC1 AC7493 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.28 CCNCCN1CCCCC1 30726 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.28 OCCCCC1CCCCC1 F53310 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.28 OCCCCC1CCNCC1 67437 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.28 OCCCCC1CCNCC1 67438 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.20 CC(C)OC1CCC(=O)CC1 C76212 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.20 CN(C)C[C@H]1CC[C@H](N)CC1 D79114 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.86 CC(C)CN1CCCCC1=O 91963 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.86 CN(C)C[C@H]1CCCCC1=O 78194 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.7 CO[Si](C)(C)C1CCCCC1 A11396 [0,1,0,0,1,0|1,1,0]=4 87 B13R1.135 CNC(=O)[C@@H](N)CC1CCCCC1 P18304 [0,1,0,0,0,1|1,0,1]=4 88 B11R2.1 CN1CCC2CCNCC21 P17650 [1,0,0,1,0,0|1,0,0]=3 89 B11R2.12 O=C1CCC12CCCCC2 84858 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1CCN2CCNC[C@@H]2C1 59834 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.20 C1CCN2CCNC[C@@H]2C1 P15851 [1,0,0,1,0,0|1,0,0]=3 93 B11R2.20 C1CCN2CCNC[C@@H]2C1 P19068 [1,0,0,1,0,0|1,0,0]=3 94 B11R2.20 C1CN2CCOC[C@@H]2CN1 39084 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.20 C1CN2CCOC[C@@H]2CN1 CS3384 [1,0,0,1,0,0|2,0,0]=4 96 B11R2.20 C1CN2CCOC[C@@H]2CN1 CS3387 [1,0,0,1,0,0|2,0,0]=4 97 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W12195 [1,0,0,1,0,0|1,0,0]=3 98 B11R2.239 C1CC(C2CNC2)CCO1 CS2100 [1,0,0,1,0,0|1,0,0]=3 99 B11R2.239 C1CN(C2CNC2)CCO1 CS1545 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.239 C1CN(C2CNC2)CCO1 P10720 [1,0,0,1,0,0|2,0,0]=4 101 B11R2.239 C1CN(C2CNC2)CCO1 P15385 [1,0,0,1,0,0|2,0,0]=4 102 B11R2.1261 C1CC2(CCN1)CCNC2 33425 [1,0,0,1,0,0|1,0,0]=3 103 B11R2.1261 C1CC2(CCOCC2)CN1 37537 [1,0,0,1,0,0|1,0,0]=3 104 B11R2.1261 C1CC2(CCOCC2)CN1 P13638 [1,0,0,1,0,0|1,0,0]=3 105 B11R2.1261 C1CCC2(C1)CCCNC2 33462 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.1261 C1CCC2(CC1)CCCN2 33370 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.1261 C1CCC2(CC1)CCNC2 P15971 [1,0,0,1,0,0|0,0,0]=2 108 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 W13911 [1,0,0,1,0,0|1,0,0]=3 109 B11R2.1261 C1CNC[C@@]2(C1)CCOC2 27623 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1261 C1COCC2(C1)CCNC2 P14588 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.10 CN1CC2CCCNC2C1 30715 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.508 C[C@]1(O)CN2CCC1CC2 S11401 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.678 OC1CC2CCCC(C1)N2 37915 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.678 OC1CC2CCCC(C1)N2 D78828 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.678 O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 P10492 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.678 O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 P14567 [1,0,0,1,0,0|2,0,0]=4 117 B11R2.678 O[C@H]1C[C@@H]2CCC[C@H](C1)N2 P14572 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.703 CN1CC2(CCNCC2)C1 80454 [1,0,0,1,0,0|2,0,0]=4 119 B11R2.703 FC1CC2(CCNCC2)C1 P15340 [1,0,0,1,0,0|2,0,0]=4 120 B11R2.703 O=C1CC2(CCCCC2)C1 W16071 [1,0,0,1,0,0|1,0,1]=4 121 B11R2.703 OC1CC2(CCCNC2)C1 D79625 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 P14112 [0,0,0,1,1,0|2,0,0]=4 123 B11R2.36 CC1CN2CCCC2CN1 P19761 [0,0,0,1,1,0|1,0,0]=3 124 B13R2.64 C1CN[C@@H](CN2CCOCC2)C1 C78055 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.64 C1C[C@H](CN2CCOCC2)CN1 C77810 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.433 O=C(O)C1CC2CCCC(C2)C1 94777 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.11462 CC1(C)CC2(CCNCC2)CO1 F12431 [0,1,0,1,0,0|2,0,0]=4 128 B13R3.4404 O=C1NC2C3CCC(CC3)C12 D78811 [0,0,0,2,0,0|1,0,1]=4 129 B13R3.3861 ON1C2CC3CC(C2)CC1C3 T71614 [0,0,0,2,0,0|1,0,0]=3 130 B9R1.6 CC(C)C1CCNCC1 T72018 [1,0,0,0,1,0|1,0,0]=3 131 B9R1.6 CC(C)N1CCOCC1 78587 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.6 CN(C)[C@H]1CCCNC1 P19624 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.6 CN(C)[C@H]1CCCNC1 S11097 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [1,0,0,0,1,0|0,0,0]=2 137 B9R1.6 C[C@H](N)C1CCOCC1 52485 [1,0,0,0,1,0|1,0,0]=3 138 B9R1.6 C[C@H](N)C1CCOCC1 52508 [1,0,0,0,1,0|1,0,0]=3 139 B9R1.6 C[C@H](N)C1CCOCC1 53162 [1,0,0,0,1,0|1,0,0]=3 140 B9R1.6 C[C@H](O)C1CCNCC1 50851 [1,0,0,0,1,0|2,0,0]=4 141 B9R1.6 C[C@H](O)C1CCOCC1 72533 [1,0,0,0,1,0|2,0,0]=4 142 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [1,0,0,0,1,0|2,0,0]=4 143 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [1,0,0,0,1,0|2,0,0]=4 145 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.13 CN(C)C[C@H]1CCNC1 P17783 [1,0,0,0,1,0|2,0,0]=4 149 B9R1.13 CN(C)C[C@H]1CCNC1 P17784 [1,0,0,0,1,0|2,0,0]=4