0 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT16264 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.3 NC1CCC(F)CC1 AT11407 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.3 O=C1CCC(=O)NC1 65254 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P19105 [0,1,0,0,0,0|1,0,2]=4 10 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P18956 [0,1,0,0,0,0|0,0,3]=4 11 B9R1.1 CN1CCC(C=O)CC1 23787 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 AT25392 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [0,1,0,0,0,0|0,0,2]=3 14 B9R1.1 C[C@H]1CC[C@H](CO)CN1 W19702 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AC7043 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.1 NCC1CCC(O)CC1 32841 [0,1,0,0,0,0|0,0,2]=3 17 B9R1.1 N[C@H]1CC[C@H](CO)OC1 P20704 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.69 CN1CC[C@H](N)[C@@H](F)C1 D97090 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P18870 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.69 N[C@H]1CCC(=O)NC1=O F12719 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.3 CNC(=O)CCCO F10217 [0,0,1,0,0,0|2,0,0]=3 25 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,1,0,0|1,0,0]=2 26 B9R2.49 C1CC2CNC1CO2 W10120 [0,0,0,1,0,0|1,0,2]=4 27 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 D96774 [0,0,0,1,0,0|1,0,2]=4 28 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 D96775 [0,0,0,1,0,0|1,0,2]=4 29 B9R2.54 CN1C[C@H]2[C@H](N)[C@H]2C1 P12160 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,0,1,0|1,0,0]=2 31 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,0,1,0|1,0,0]=2 32 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,0,1,0|1,0,2]=4 33 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,0,0,0,1,0|2,0,1]=4 34 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,0,0,0,1,0|2,0,1]=4 35 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,0,1,0|2,0,1]=4 36 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,0,1,0|1,0,2]=4 37 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,0,1,0|1,0,2]=4 38 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,0,1,0|2,0,0]=3 39 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,0,0,0,1,0|2,0,1]=4 40 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,0,1,0|2,0,0]=3 41 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,0,0,0,1,0|2,0,1]=4 43 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,0,0,0,1,0|2,0,1]=4 44 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,0,1,0|1,0,2]=4 45 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,0,1,0|1,0,2]=4 46 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,0,1,0|1,0,2]=4 47 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,0,1,0|1,0,2]=4 48 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,0,1,0|1,0,2]=4 49 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,0,0,0,0,1|2,0,0]=3 50 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,1,1,0,0,0|1,0,0]=3 52 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,1,0,0,0|1,0,1]=4 53 B8R1.2 BrCC1CCSCC1 D84726 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.2 C#CC1CCSCC1 P13801 [1,1,0,0,0,0|1,0,1]=4 55 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,1,0,0,0,0|1,0,1]=4 56 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.2 CON1CCNCC1 AT26084 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.2 NNC1CCNCC1 D79876 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.2 OC[C@H]1CCCCO1 92919 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.4 CC1=CCCC(=O)C1 D79894 [1,1,0,0,0,0|0,0,2]=4 68 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.4 NC1CCCC(F)C1 D96615 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [1,1,0,0,0,0|0,0,2]=4 77 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [1,1,0,0,0,0|0,0,2]=4 78 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [1,1,0,0,0,0|1,0,0]=3 79 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [1,1,0,0,0,0|1,0,1]=4 80 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [1,1,0,0,0,0|0,0,2]=4 81 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,1,0,0,0,0|0,0,1]=3 83 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,1,0,0,0,0|0,0,1]=3 84 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [1,1,0,0,0,0|1,0,0]=3 85 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [1,1,0,0,0,0|1,0,1]=4 109 B8R1.72 CP1(=O)CCNCC1 W19671 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.72 C[C@]1(O)CCCNC1 D97149 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,0,1,0|1,0,1]=4 113 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,0,1,0|0,0,2]=4 114 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,0,1,0|2,0,0]=4 115 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,0,1,0|1,0,0]=3 116 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,1,0,0,1,0|1,0,0]=3 117 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,0,1,0|1,0,0]=3 118 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,0,1,0|1,0,0]=3 119 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,1,0,0,1,0|2,0,0]=4 120 B8R1.50 CC1CCC(C)C1N F12413 [0,1,0,0,1,0|1,0,1]=4 121 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P14151 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,2,0,0,0,0|1,0,1]=4 124 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 C14691 [0,2,0,0,0,0|1,0,1]=4 127 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,2,0,0,0,0|0,0,1]=3 128 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.473 C[C@]1(C#N)CC[C@H](N)CC1 P20241 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,0,1,1,0,0|1,0,0]=3 132 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,0,1,1,0,0|1,0,1]=4 133 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,1,1,0,0|1,0,0]=3 134 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,1,1,0,0|2,0,0]=4 136 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,1,1,0,0|2,0,0]=4 138 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,1,1,0,0|1,0,0]=3 139 B8R2.11 NC1C2CCCC12 P20766 [1,0,0,1,0,0|1,0,1]=4 140 B8R2.11 NC1C2COCC12 C76192 [1,0,0,1,0,0|2,0,0]=4 141 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W12777 [1,0,0,1,0,0|2,0,0]=4 142 B8R2.11 OC1C2CNCC12 AT19819 [1,0,0,1,0,0|2,0,0]=4 143 B8R2.18 O=C1CC2CC2N1 P20381 [1,0,0,1,0,0|1,0,0]=3 144 B8R2.23 C1NCC2CC1C2 80451 [1,0,0,1,0,0|1,0,1]=4 145 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [1,0,0,1,0,0|1,0,1]=4 146 B8R2.38 NC1CCC2CC12 F30521 [1,0,0,1,0,0|1,0,1]=4 147 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [1,0,0,1,0,0|0,0,0]=2 148 B8R2.38 O=C1NCC2CC12 AT10538 [1,0,0,1,0,0|1,0,0]=3 149 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [1,0,0,1,0,0|0,0,2]=4 150 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,1,1,0|0,0,0]=2 151 B8R2.7 NC12CCC(C1)C2 P20285 [0,0,0,1,1,0|1,0,1]=4 152 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,1,0,1|1,0,0]=3 153 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,1,0,1|1,0,0]=3 154 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,1,0,1|2,0,0]=4 155 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 P13099 [0,1,0,1,0,0|2,0,0]=4 156 B10R2.335 O=C1COC2(CC2)CN1 80201 [0,1,0,1,0,0|2,0,0]=4 157 B10R2.335 OC1CCC2(CC1)CC2 P13201 [0,1,0,1,0,0|0,0,2]=4 158 B10R2.442 NCC12CCN(CC1)C2 W15503 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.582 BrC12CCC(CC1)CC2 D75327 [0,1,0,1,0,0|1,0,1]=4 160 B10R2.582 NC12CCN(CC1)CC2 C77419 [0,1,0,1,0,0|2,0,0]=4 161 B10R2.582 OC12CCC(CC1)CC2 P18814 [0,1,0,1,0,0|0,0,2]=4 162 B10R2.314 CC1(C)[C@H]2C[C@H](O)C[C@H]21 W10534 [0,1,0,1,0,0|0,0,2]=4 163 B10R2.571 NC12CCC(O)(CC1)C2 57457 [0,1,0,1,0,0|0,0,2]=4 164 B6R1.2 CN1CCNC1 AC8535 [1,0,0,0,1,0|2,0,0]=4 165 B6R1.2 Cl[C@H]1CCNC1 W15837 [1,0,0,0,1,0|2,0,0]=4 166 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,0,2,0|2,0,0]=4 167 B6R1.5 CC1CC(O)C1 P19103 [0,0,0,0,2,0|0,0,2]=4 168 B6R1.5 O=C1CC(F)C1 P13807 [0,0,0,0,2,0|1,0,0]=3