0 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.3 CNC(=O)CCCO F10217 [0,1,0,0,0,0|1,0,1]=3 2 B7R0.4 CC(=O)OCCCO Y14698 [0,1,0,0,0,0|2,0,0]=3 3 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,0,0,0,0|2,0,1]=4 4 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.1 C#C[C@H]1CCOC1 38451 [0,0,0,1,0,0|1,1,1]=4 8 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|2,0,0]=3 9 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.1 FC[C@H]1CCNC1 P18732 [0,0,0,1,0,0|2,0,0]=3 11 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,0,0,1,0,0|1,0,1]=3 12 B7R1.4 BrC1CCCC1Br D96921 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.8 CN1CC[C@@H]1CN P13166 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,0,1,0,0|1,1,0]=3 28 B7R1.8 NCC1CCC1F P18462 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.8 OCC1CCC1F P19725 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.8 OCC1CCC1O P20965 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.9 NC[C@H]1C[C@H]1CN D79390 [0,0,0,1,0,0|3,0,0]=4 32 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CC[C@H](N)CC#N Y13628 [1,1,0,0,0,0|1,0,1]=4 34 B6R0.1 N#CC[C@H](N)CO Y14487 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|0,0,0]=2 36 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.4 NCCCCCCCO D74762 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.7 CN(C)CCCCCN D83961 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.22 CCCC(CBr)CCC 78361 [0,2,0,0,0,0|2,0,0]=4 42 B6R1.2 CN1CCNC1 AC8535 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.2 Cl[C@H]1CCNC1 W15837 [1,0,0,1,0,0|2,0,0]=4 44 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [1,0,0,1,0,0|2,0,0]=4 45 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [1,0,0,1,0,0|1,0,0]=3 48 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [1,0,0,1,0,0|1,0,0]=3 49 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [1,0,0,1,0,0|1,0,0]=3 50 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [1,0,0,1,0,0|1,0,0]=3 51 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [1,0,0,1,0,0|0,1,0]=3 52 B6R1.6 C#CC1CCC1 P19139 [1,0,0,1,0,0|1,0,1]=4 53 B6R1.6 NCC1CSC1 39006 [1,0,0,1,0,0|1,0,0]=3 54 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,1,0,0|1,0,0]=3 55 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [1,0,0,1,0,0|1,1,0]=4 56 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [1,0,0,1,0,0|1,1,0]=4 57 B6R1.8 CO[C@H]1C[C@H]1N P20154 [1,0,0,1,0,0|1,1,0]=4 58 B6R1.8 CO[C@H]1C[C@H]1N P20156 [1,0,0,1,0,0|1,1,0]=4 59 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|0,0,0]=2 60 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.2 CC[C@H]1CNCCN1 C12792 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.2 FC[C@H]1CCCCN1 P12638 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.2 FC[C@H]1CCCCN1 P14249 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.2 FC[C@H]1CNCCN1 AT11399 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,1,0,0|1,1,0]=4 71 B8R1.2 NN[C@H]1CCCNC1 D79855 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.2 NN[C@H]1CCCNC1 D79875 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,1,0,0|0,1,0]=3 76 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,1,0,0|0,1,0]=3 77 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,1,0,0|1,1,0]=4 83 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,1,0,0|1,1,0]=4 84 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,1,0,1,0,0|1,1,0]=4 91 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,1,0,1,0,0|1,1,0]=4 92 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,1,0,0|0,1,0]=3 93 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,1,0,0|0,1,0]=3 94 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,1,0,0|1,1,0]=4 95 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,1,0,0|1,1,0]=4 96 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,1,0,0|1,1,0]=4 97 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,1,0,1,0,0|1,1,0]=4 98 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,1,0,0|1,1,0]=4 100 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,1,0,0|1,1,0]=4 104 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.8 NCC[C@H]1CCOC1 D96809 [0,1,0,1,0,0|1,1,0]=4 106 B8R1.10 FCCOC1CNC1 W16568 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.10 OCCCC1CNC1 D96736 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.11 CC1CCCC1CO 72730 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.11 CO[C@@H]1CNC[C@@H]1F 72975 [0,1,0,1,0,0|1,1,0]=4 110 B8R1.11 CO[C@@H]1CNC[C@@H]1F P15714 [0,1,0,1,0,0|1,1,0]=4 111 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,1,0,1,0,0|1,1,0]=4 112 B8R1.11 CO[C@H]1CNC[C@@H]1O P19984 [0,1,0,1,0,0|0,1,0]=3 113 B8R1.11 CO[C@H]1CNC[C@H]1O P19606 [0,1,0,1,0,0|0,1,0]=3 114 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,1,0,1,0,0|0,1,0]=3 116 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,1,0,1,0,0|1,1,0]=4 121 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,1,0,1,0,0|1,1,0]=4 122 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,1,0,1,0,0|1,1,0]=4 123 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,1,0,1,0,0|1,1,0]=4 124 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.22 F[C@H]1CCCCNC1 72929 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.22 F[C@H]1CCCNCC1 72243 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.22 N[C@H]1CCCCNC1 32198 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.22 N[C@H]1CCCOCC1 33401 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.1 CC1CC(CO)CN1 83595 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|0,1,1]=4 133 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.3 NC1CCC(F)CC1 AT11407 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.38 CC(CO)C1CCO1 P17526 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,1,0,1,0,0|0,1,1]=4 141 B8R1.38 C[C@@H](CO)N1CCC1 P19737 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.40 N[C@H](CO)CC1CC1 Y14036 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.47 NC[C@H]1C[C@H](CO)C1 P14793 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.50 CC1CCC(C)C1N F12413 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.52 C[C@]1(CF)CCNC1 73105 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.52 NCC1(F)CCCC1 P17736 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 P21019 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.4 F[C@@H]1CNC[C@H](F)C1 P21018 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 NC1CCCC(F)C1 D96615 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.6 NC1CN(CCO)C1 P18354 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.7 FC(F)[C@H]1CCNC1 P16549 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.7 O=C(O)C1CSSC1 D82957 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.19 CC1(C)CNC[C@@H]1O W16893 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.19 O[C@H]1CCCC1(F)F D97023 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.48 O=S1(=O)CC[C@@H]1CO P19878 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.48 OC[C@H]1CCC1(F)F P13854 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.66 OCCC1(F)COC1 P12174 [0,1,0,1,0,0|0,1,0]=3 179 B8R2.11 NC1C2CCCC12 P20766 [0,0,0,2,0,0|2,0,0]=4 180 B8R2.11 NC1C2COCC12 C76192 [0,0,0,2,0,0|1,1,0]=4 181 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W12777 [0,0,0,2,0,0|1,1,0]=4 182 B8R2.11 OC1C2CNCC12 AT19819 [0,0,0,2,0,0|1,0,0]=3 183 B8R2.22 C1CC2CNCC12 59759 [0,0,0,2,0,0|2,0,0]=4 184 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [0,0,0,2,0,0|2,0,0]=4 185 B8R2.55 C1CNC2(C1)CC2 38518 [0,0,0,2,0,0|2,0,0]=4 186 B8R2.23 C1NCC2CC1C2 80451 [0,0,0,2,0,0|2,0,0]=4 187 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,2,0,0|1,0,0]=3 188 B8R2.23 C1OCC2CC1N2 P16049 [0,0,0,2,0,0|1,1,0]=4 189 B8R2.25 C1COC2CC2N1 C72423 [0,0,0,2,0,0|2,0,0]=4 190 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,2,0,0|2,0,0]=4 191 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|1,0,0]=3 192 B8R2.42 C1CC2(CNC2)S1 P18246 [0,0,0,2,0,0|1,1,0]=4 193 B8R2.19 N[C@H]1CCC12CC2 D76859 [0,0,0,2,0,0|2,0,0]=4