0 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 COC(=O)CCCCCC=O A51072 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.74 COC(=O)CCCCCCN F19219 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 CC(C)CCCCCCO D98911 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 CNCCCCCC(=O)O AT21580 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 NCCCCCCC(N)=O AC7480 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.45 C=CCCCCCCCC T73018 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.45 CC#CCCCCCCC H11435 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.46 COC(=O)COCCCO 56926 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.46 COCCCCC(=O)OC AC9127 [1,0,0,0,0,0|1,0,0]=2 13 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,1,0,0,0,0|0,0,2]=3 14 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,1,0,0,0,0|2,0,0]=3 15 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,1,0,0,0,0|0,0,1]=2 16 B11R1.25 COC(=O)CCN1CCCC1 D72568 [0,0,0,1,0,0|1,0,0]=2 17 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.25 COC(=O)CO[C@H]1CCNC1 F13057 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.40 CNC(=O)NC1CCNCC1 AT22991 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.40 CNC(=O)OC1CCNCC1 AT22998 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.40 COC(=O)C[C@H]1CNCCN1 D79031 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.40 COC(=O)C[C@H]1CNCCN1 S11350 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.40 COC(=O)C[C@H]1CNCCO1 F17624 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18995 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18996 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18999 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.40 COC(=O)C[C@H]1COCCN1 73924 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.40 COC(=O)C[C@H]1COCCN1 F14597 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.40 COC(=O)C[C@H]1COCCO1 AT10081 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.115 COC(=O)[C@@H]1CCN1CCF P15233 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,0,0,1,0,0|1,0,0]=2 33 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,0,0,1,0,0|1,0,0]=2 34 B11R1.222 COC(=O)C1CCCNC1C F30030 [0,0,0,1,0,0|1,0,0]=2 35 B11R1.222 COC(=O)C1COCCC1N D87017 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.222 COC(=O)C1NCCCC1O AC4816 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.222 COC(=O)N1CCNC[C@@H]1C AT22989 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.222 COC(=O)[C@@H]1CNCCC1=O F11806 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,0,0,1,0,0|1,0,0]=2 40 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [0,0,0,1,0,0|1,0,0]=2 41 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,0,0,1,0,0|1,0,0]=2 42 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,0,0,1,0,0|2,0,0]=3 43 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,0,0,1,0,0|1,0,0]=2 44 B8R0.4 CNCCCCCCO AT11159 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.4 COCCNCCCO FD7300 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.4 NCCCCCCCO AT22494 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 CC(=O)NCCCCN S12336 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.7 CCCCC#CC(=O)O T71801 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.7 CCCCNCC(=O)O D87235 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.7 CNCCCNC(C)=O C78307 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.7 NC(=O)CCCCCO AC6170 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.7 O=C(O)CCOCCBr C70446 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 O=C(O)CCOCCO C70447 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.7 [2H][C@H](O)CCCCCC D99646 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.6 COC(=O)NCCCN AT13710 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.4 C=CCCCCCOC(C)=O T72533 [1,1,0,0,0,0|0,0,2]=4 57 B10R0.4 CC(C)CCCCCCCO D98228 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.4 O=C(O)COCCOCCBr C90635 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.4 O=C(O)COCCOCCCl D71995 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [1,1,0,0,0,0|0,0,0]=2 62 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [1,1,0,0,0,0|1,0,0]=3 68 B12R0.1 CCCCCC\C=C\C(=O)OCC AC9668 [0,2,0,0,0,0|0,0,1]=3 69 B12R0.184 COC(=O)CCCCCCC(C)C A10623 [0,2,0,0,0,0|0,0,0]=2 70 B12R0.147 CC[C@H](C)CN(C)CCC(=O)OC D72563 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.147 COC(=O)CC[C@H](O)CC(=O)OC S11953 [0,2,0,0,0,0|1,0,1]=4 72 B12R0.193 CCC[C@H](C)N(C)CCC(=O)OC D72656 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.18 CC(=O)CN1CCOCC1 F30141 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.18 CC(=O)OC1CCNCC1 95803 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.18 NC(=O)CC1CCOCC1 C14576 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.18 O=C(O)CN1CCSCC1 W18219 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.39 CCN1CCC[C@H]1C(N)=O T72395 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.61 CC1CCCCC1B(O)O D96319 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.61 CC1CNCCC1C(=O)O 33568 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [1,0,0,1,0,0|0,0,2]=4 97 B10R1.61 NC(=O)C1CCCCC1N AT21040 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.61 NC1CCCCC1C(=O)O 71292 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.66 NC(=O)COC1CCCC1 AC6964 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.17 CCCCC1CCNCC1 30336 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.17 CNCCC1CCCCC1 P10203 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.17 COCC[C@H]1CCCCN1 32735 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.161 CNC1CCCCCCC1 L10188 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19021 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19022 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.15 NCC(=O)C1CCCCC1 P14033 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [1,0,0,1,0,0|1,0,0]=3 123 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [1,0,0,1,0,0|1,0,0]=3 124 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.149 COC(=O)C1NCCC1O F51597 [1,0,0,1,0,0|2,0,0]=4 126 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [1,0,0,1,0,0|1,0,0]=3 128 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N D79669 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11675 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.151 COC(=O)\C=C\C1CCC1 W11680 [1,0,0,1,0,0|0,0,2]=4 131 B10R1.157 COC(=O)CC1CC1CN D79180 [1,0,0,1,0,0|1,0,0]=3 132 B10R1.175 C#CC1CCC1C(=O)OC 58314 [1,0,0,1,0,0|0,0,2]=4 133 B12R1.51 CCOC(=O)CO[C@H]1CCNC1 F14056 [0,1,0,1,0,0|2,0,0]=4 134 B12R1.308 CCOC(=O)C1CCNCC1C P16206 [0,1,0,1,0,0|1,0,0]=3 135 B12R1.308 CCOC(=O)C1NCCCC1O AC5344 [0,1,0,1,0,0|2,0,0]=4 136 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N 56728 [0,1,0,1,0,0|2,0,0]=4 137 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F12981 [0,1,0,1,0,0|1,0,0]=3 138 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F15959 [0,1,0,1,0,0|1,0,0]=3 139 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C P16051 [0,1,0,1,0,0|1,0,0]=3 140 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58496 [0,1,0,1,0,0|2,0,0]=4 141 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58499 [0,1,0,1,0,0|2,0,0]=4 142 B12R1.310 CCOC(=O)CCNCC1CC1 C77564 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T72396 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T73086 [0,1,0,1,0,0|1,0,0]=3 145 B12R1.316 CCOC(=O)[C@H]1CNC[C@@H]1CC P18718 [0,1,0,1,0,0|1,0,0]=3 146 B12R1.27 CNC(=O)COC1CCNCC1 77455 [0,1,0,1,0,0|2,0,0]=4 147 B12R1.27 COC(=O)CCN1CCCCC1 63638 [0,1,0,1,0,0|0,0,0]=2 148 B12R1.371 COC(=O)C[C@H]1CCCCC1=O AT25972 [0,1,0,1,0,0|0,0,1]=3 149 B12R1.264 C[C@H](N)C(=O)OCC1CCCC1 A50622 [0,1,0,1,0,0|2,0,0]=4 150 B12R1.1657 COC(=O)[C@@H]1COCCC(=O)C1 C93225 [0,1,0,1,0,0|1,0,1]=4 151 B12R1.1657 COC(=O)[C@H]1CCCCC(=O)C1 C93224 [0,1,0,1,0,0|0,0,1]=3 152 B12R1.49 COC(=O)CC1CCC(=O)CC1 AB9774 [0,1,0,1,0,0|0,0,1]=3 153 B12R1.49 COC(=O)CC1CCC(N)CC1 AT26681 [0,1,0,1,0,0|0,0,0]=2 154 B12R1.49 COC(=O)CN1CCC(=O)CC1 C77648 [0,1,0,1,0,0|1,0,1]=4 155 B12R1.49 COC(=O)CN1CCC(N)CC1 C78556 [0,1,0,1,0,0|1,0,0]=3 156 B12R1.435 COC(=O)C1CNCC(OC)C1 P12833 [0,1,0,1,0,0|2,0,0]=4 157 B12R1.435 COC(=O)[C@H]1CCC[C@@H](CN)C1 D96621 [0,1,0,1,0,0|1,0,0]=3 158 B12R1.50 COC(=O)CC1CNCC(C)C1 P18963 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.50 COC(=O)CC1CNCC(C)O1 F18894 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97097 [0,1,0,1,0,0|0,0,1]=3 161 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97100 [0,1,0,1,0,0|0,0,1]=3 162 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 AC5799 [0,1,0,1,0,0|0,0,1]=3 163 B12R1.50 COC(=O)C[C@H]1CN(C)CCO1 F18923 [0,1,0,1,0,0|2,0,0]=4 164 B12R1.366 COC(=O)[C@H]1CCNCC1(C)C C91043 [0,1,0,1,0,0|1,0,0]=3 165 B12R1.34 COC(=O)[C@@H](Br)C1CCCCC1 C78328 [0,1,0,1,0,0|0,0,0]=2 166 B12R1.34 COC(=O)[C@@H](C)C1CCCCC1 F14171 [0,1,0,1,0,0|0,0,0]=2 167 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F31386 [0,1,0,1,0,0|1,0,0]=3 168 B12R1.34 COC(=O)[C@@H](N)C1CCSCC1 31881 [0,1,0,1,0,0|1,0,0]=3 169 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67410 [0,1,0,1,0,0|0,0,0]=2 170 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 AT23681 [0,1,0,1,0,0|0,0,0]=2 171 B12R1.1731 COC(=O)C1(N)CCCCCC1 I11768 [0,1,0,1,0,0|0,0,0]=2 172 B12R1.3524 COC(=O)CC1(N)CCCCC1 63918 [0,1,0,1,0,0|0,0,0]=2 173 B12R1.3524 COC(=O)CC1(N)CCOCC1 63922 [0,1,0,1,0,0|1,0,0]=3 174 B12R2.24 O=C1CN2CCNC[C@H]2CO1 D78736 [0,0,0,2,0,0|2,0,0]=4 175 B12R2.24 O=C1CNC2CCCCC2N1 F14272 [0,0,0,2,0,0|2,0,0]=4 176 B12R2.24 O=C1N[C@H]2CNCC[C@@H]2CO1 C77532 [0,0,0,2,0,0|2,0,0]=4 177 B12R2.1175 O=C1C=CC2(CCCC2)CC1 F19764 [0,0,0,2,0,0|1,0,1]=4 178 B12R2.1175 O=C1CCC2(CCCC2)CC1 F19719 [0,0,0,2,0,0|1,0,0]=3 179 B12R2.2342 CN1C(=O)[C@@H]2CC[C@H]1CNC2 AT25172 [0,0,0,2,0,0|2,0,0]=4 180 B12R2.6 O=C1CC(C2CCNC2)CN1 AT19067 [0,0,0,2,0,0|2,0,0]=4