0 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,1,0,0,0,0|1,0,0]=2 1 B8R0.4 NCCCCCCCO D74762 [0,1,0,0,0,0|0,0,2]=3 2 B8R0.7 CN(C)CCCCCN D83961 [0,1,0,0,0,0|2,0,1]=4 3 B8R0.7 NCCOCCC(=O)O C72750 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.2 BrCC1CCSCC1 D84726 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.2 C#CC1CCSCC1 P13801 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,0,0,1,0,0|1,0,1]=3 8 B8R1.2 CC[C@H]1CNCCN1 C12792 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 FC[C@H]1CCCCN1 P12638 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 FC[C@H]1CCCCN1 P14249 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 NNC1CCNCC1 D79876 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 NN[C@H]1CCCNC1 D79855 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 NN[C@H]1CCCNC1 D79875 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 OC[C@H]1CCCCO1 92919 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,0,0,1,0,0|1,0,1]=3 33 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.8 NCC[C@H]1CCOC1 D96809 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.10 OCCCC1CNC1 D96736 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.11 CC1CCCC1CO 72730 [0,0,0,1,0,0|0,0,2]=3 38 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.11 N#C[C@@H]1CCC[C@@H]1N 38298 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.22 F[C@H]1CCCCNC1 72929 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.22 F[C@H]1CCCNCC1 72243 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.22 N[C@H]1CCCCNC1 32198 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.49 C1=CCCC=CCC1 F10040 [0,0,0,1,0,0|1,0,2]=4 55 B5R0.2 CSCCCCl Y14621 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.7 CCC[C@H](N)CC#N Y14537 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,2,0,0,0,0|0,0,0]=2 60 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,2,0,0,0,0|0,0,0]=2 61 B9R0.2 NC(=O)CCCCCCO AC4329 [0,2,0,0,0,0|0,0,0]=2 62 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.1 FC[C@H]1CCNC1 P18732 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.4 BrC1CCCC1Br D96921 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.6 BrCC[C@H]1CCO1 D79156 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.6 ICC[C@H]1CCO1 D79155 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.6 NCC[C@H]1CCO1 D79157 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.6 NCC[C@H]1CCO1 P17247 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.8 CN1CC[C@@H]1CN P13166 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.8 NCC1CCC1F P18462 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.8 OCC1CCC1F P19725 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.8 OCC1CCC1O P20965 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.9 NC[C@H]1C[C@H]1CN D79390 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,1,0,1,0,0|0,0,0]=2 86 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.8 COC[C@H]1CCCCN1 C76178 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,1,0,1,0,0|0,0,2]=4 97 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,1,0,1,0,0|0,0,0]=2 99 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P18870 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,1,0,1,0,0|0,0,0]=2 107 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P19105 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P18956 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.1 CN1CCC(C=O)CC1 23787 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 AT25392 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AC7043 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.1 NCC1CCC(O)CC1 32841 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.3 C[C@@H]1NCCN(C)C1=O F53781 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,1,0,0|0,0,2]=4 120 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.148 C[C@]1(O)CCCCNC1 73110 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.148 C[C@]1(O)CCCCNC1 D95213 [0,1,0,1,0,0|2,0,0]=4 137 B9R2.53 O=C1C2CNCC1C2 86846 [0,0,0,2,0,0|1,0,0]=3 138 B9R2.123 NC1C2CCCCC12 P18023 [0,0,0,2,0,0|1,0,1]=4 139 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,2,0,0|1,0,0]=3 140 B9R2.2 C1CN[C@H](C2CC2)C1 Y14781 [0,0,0,2,0,0|1,0,1]=4 141 B9R2.2 C1CN[C@H](C2CC2)C1 Y14782 [0,0,0,2,0,0|1,0,1]=4 142 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,2,0,0|1,0,0]=3 143 B9R2.140 O=C1CCC12CNC2 D79142 [0,0,0,2,0,0|1,0,0]=3 144 B9R2.140 O=C1CCC12COC2 84056 [0,0,0,2,0,0|1,0,0]=3 145 B9R2.140 O=C1COC12CCC2 D96666 [0,0,0,2,0,0|1,0,0]=3 146 B9R2.5 O[C@H]1CCCC12CC2 92334 [0,0,0,2,0,0|0,0,2]=4 147 B9R2.36 OC1CCC1C2CC2 84015 [0,0,0,2,0,0|0,0,2]=4