0 B6R1.2 CN1CCNC1 AC8535 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,1,0,0,0,0|2,0,1]=4 4 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,1,0,0,0,0|2,0,1]=4 5 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 C#C[C@H]1CCOC1 38451 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 CC[C@H]1CCNC1 P14868 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.1 FC[C@H]1CCNC1 P18732 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.2 NC1=NCC(=O)S1 C13281 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,1,0,0,0,0|1,0,1]=3 23 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,0,0,0|0,0,2]=3 26 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,0,0,0|0,0,2]=3 27 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,0,0,0|0,0,2]=3 28 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,0,0|0,0,2]=3 29 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,1,0,0,0,0|0,0,2]=3 30 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,0,0,0|1,0,1]=3 31 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,0,0,0|1,0,2]=4 33 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,0,0,0|1,0,2]=4 36 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,0,0,0|1,0,1]=3 43 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,0,0,0|1,0,2]=4 47 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,0,0,0|1,0,2]=4 48 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.2 CSCCCCl Y14621 [0,0,1,0,0,0|2,0,1]=4 50 B5R0.2 N#CCCC=O F20778 [0,0,1,0,0,0|1,0,1]=3 51 B4R0.2 CNCCF AC6046 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,1,1,0,0,0|2,0,0]=4 53 B6R0.2 O=C(O)CC(F)F P18472 [0,1,1,0,0,0|2,0,0]=4 54 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,1,0,0,0|2,0,0]=4 55 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,1,1,0,0,0|1,0,1]=4 56 B6R0.9 C\C=C(\C=O)CC AC9866 [0,1,1,0,0,0|0,0,1]=3 57 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,0,1,0|0,0,2]=4 58 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,0,1,0|0,0,2]=4 59 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,0,1,0|0,0,2]=4 60 B6R1.4 N[C@H]1CNC1=O P11921 [0,1,0,0,1,0|1,0,0]=3 61 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,0,1,0|0,0,2]=4 62 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,0,1,0|0,0,2]=4 63 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,1,0,0,1,0|1,0,1]=4 64 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,1,0,0,1,0|1,0,1]=4 65 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,0,1,0|0,0,0]=2 66 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,1,0,0,1,0|0,0,2]=4 67 B6R1.6 C#CC1CCC1 P19139 [0,1,0,0,1,0|1,0,1]=4 68 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,0,0,1|1,0,1]=4 69 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,0,0,1|1,0,1]=4 70 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,0,0,1|1,0,1]=4 71 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,0,0,1|1,0,1]=4 73 B8R1.2 CON1CCNCC1 AT26084 [0,1,0,0,0,1|1,0,1]=4 74 B8R1.2 FC[C@H]1CCCCN1 P12638 [0,1,0,0,0,1|1,0,1]=4 75 B8R1.2 FC[C@H]1CCCCN1 P14249 [0,1,0,0,0,1|1,0,1]=4 76 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,0,0,1|1,0,1]=4 77 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.2 NNC1CCNCC1 D79876 [0,1,0,0,0,1|1,0,1]=4 79 B8R1.2 NN[C@H]1CCCNC1 D79855 [0,1,0,0,0,1|1,0,1]=4 80 B8R1.2 NN[C@H]1CCCNC1 D79875 [0,1,0,0,0,1|1,0,1]=4 81 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,0,0,1|0,0,2]=4 82 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,0,0,1|0,0,2]=4 83 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,0,0,1|0,0,2]=4 84 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,0,0,1|0,0,2]=4 85 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,0,0,1|0,0,2]=4 86 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,0,0,1|0,0,0]=2 87 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,0,0,1|0,0,0]=2 88 B8R1.3 NC1CCC(F)CC1 AT11407 [0,1,0,0,0,1|1,0,1]=4 89 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,1,0,0,0,1|1,0,1]=4 90 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,0,0,1|0,0,1]=3 91 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,0,0,1|0,0,0]=2 92 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,0,0,1|0,0,1]=3 93 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,0,0,1|0,0,0]=2 94 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,0,0,1|0,0,0]=2 95 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,1,0,0,0,1|1,0,1]=4 96 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,1,0,0,0,1|1,0,1]=4 97 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,0,0,1|0,0,2]=4 98 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,0,0,1|0,0,2]=4 99 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 P21019 [0,1,0,0,0,1|1,0,1]=4 100 B8R1.4 F[C@@H]1CNC[C@H](F)C1 P21018 [0,1,0,0,0,1|1,0,1]=4 101 B8R1.4 NC1CCCC(F)C1 D96615 [0,1,0,0,0,1|1,0,1]=4 102 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,0,0,1|0,0,2]=4 103 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,0,0,1|0,0,2]=4 104 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,0,0,1|0,0,2]=4 105 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,0,0,1|0,0,0]=2 106 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,1,0,0,0,1|1,0,1]=4 107 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,0,0,1|0,0,2]=4 108 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,0,0,1|1,0,1]=4 109 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,0,0,1|0,0,2]=4 110 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,0,0,1|0,0,2]=4 111 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,0,0,1|0,0,2]=4 112 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,1,0,0,0,1|1,0,1]=4 113 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,1,0,0,0,1|1,0,1]=4 114 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,1,0,0,0,1|1,0,1]=4 115 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,0,0,1|0,0,2]=4 116 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,0,0,1|1,0,1]=4 117 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,0,0,1|1,0,1]=4 118 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,0,0,1|0,0,2]=4 119 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,0,0,1|0,0,2]=4 120 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [0,1,0,0,0,1|1,0,1]=4 121 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [0,1,0,0,0,1|1,0,1]=4 122 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,1,0,0,0,1|1,0,1]=4 123 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,1,0,0,0,1|1,0,1]=4 124 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,1,0,0,0,1|1,0,1]=4 125 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,1,0,0,0,1|1,0,1]=4 126 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,0,0,1|0,0,2]=4 127 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,0,0,1|0,0,2]=4 128 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,0,0,1|0,0,2]=4 129 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,0,0,1|0,0,2]=4 130 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,0,0,1|0,0,2]=4 131 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,1,0,0,0,1|1,0,1]=4 132 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,1,0,0,0,1|0,0,2]=4 133 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,0,0,1|0,0,2]=4 134 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,0,0,1|0,0,2]=4 135 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,0,0,1|0,0,2]=4 136 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,1,0,0,0,1|0,0,2]=4 137 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,0,0,1|0,0,2]=4 138 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,0,0,1|1,0,0]=3 139 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,0,0,1|1,0,0]=3 140 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,0,0,1|0,0,2]=4 141 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,0,0,1|0,0,2]=4 142 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,2,0,0,0,0|1,0,0]=3 144 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,2,0,0,0,0|2,0,0]=4 146 B8R1.1 CC1CCC(CO)C1 72724 [0,2,0,0,0,0|0,0,2]=4 147 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,2,0,0,0,0|2,0,0]=4 148 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,2,0,0,0,0|1,0,0]=3 152 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,2,0,0,0,0|1,0,1]=4 154 B8R1.11 CC1CCCC1CO 72730 [0,2,0,0,0,0|0,0,2]=4 155 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,2,0,0,0,0|0,0,2]=4 156 B8R1.11 N#C[C@@H]1CCC[C@@H]1N 38298 [0,2,0,0,0,0|1,0,1]=4 157 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,2,0,0,0,0|1,0,1]=4 158 B8R1.52 NCC1(F)CCCC1 P17736 [0,2,0,0,0,0|1,0,1]=4 159 B8R1.18 CN1C[C@H](O)[C@@H](F)C1 97557 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.18 CN1C[C@H](O)[C@H](N)C1 P17126 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.50 CC1CCC(C)C1N F12413 [0,2,0,0,0,0|1,0,1]=4 162 B8R1.51 N[C@H]1CCC(F)(F)C1 38897 [0,2,0,0,0,0|1,0,1]=4 163 B8R1.51 N[C@H]1CCC(F)(F)C1 P13556 [0,2,0,0,0,0|1,0,1]=4 164 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.51 O[C@H]1CCC(F)(F)C1 P13046 [0,2,0,0,0,0|0,0,2]=4 166 B8R1.51 O[C@H]1CCC(F)(F)C1 P20322 [0,2,0,0,0,0|0,0,2]=4 167 B8R1.51 O[C@H]1CCC(F)(F)C1 P20323 [0,2,0,0,0,0|0,0,2]=4 168 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,2,0,0,0,0|0,0,2]=4 169 B8R1.19 O=C1NCCC1(F)F 90055 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.19 O[C@H]1CCCC1(F)F D97023 [0,2,0,0,0,0|0,0,2]=4 171 B8R2.11 NC1C2CCCC12 P20766 [0,0,0,1,0,1|1,0,1]=4 172 B8R2.11 NC1C2COCC12 C76192 [0,0,0,1,0,1|1,0,1]=4 173 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W12777 [0,0,0,1,0,1|1,0,1]=4 174 B8R2.11 OC1C2CNCC12 AT19819 [0,0,0,1,0,1|0,0,2]=4 175 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,1,0,1|0,0,0]=2 176 B8R2.23 C1NCC2CC1C2 80451 [0,0,0,1,0,1|1,0,1]=4 177 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,1,0,1|0,0,2]=4 178 B8R2.23 C1OCC2CC1N2 P16049 [0,0,0,1,0,1|1,0,1]=4 179 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [0,0,0,1,0,1|1,0,1]=4 180 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,1,0,1|1,0,1]=4 181 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,1|0,0,0]=2 182 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,1|0,0,0]=2 183 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,1,0,1|0,0,2]=4 184 B8R2.4 O=C1CC2CC1C2 P20286 [0,1,0,1,0,0|0,0,0]=2 185 B8R2.7 NC12CCC(C1)C2 P20285 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,0,0,0,2|1,0,1]=4 187 B8R1.22 F[C@H]1CCCCNC1 72929 [0,0,0,0,0,2|1,0,1]=4 188 B8R1.22 F[C@H]1CCCNCC1 72243 [0,0,0,0,0,2|1,0,1]=4 189 B8R1.22 N[C@H]1CCCCNC1 32198 [0,0,0,0,0,2|1,0,1]=4 190 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,0,0,2|1,0,1]=4