0 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CC[C@H](N)CC#N Y13628 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.1 N#CC[C@H](N)CO Y14487 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,1,0,0,0,0|1,1,0]=3 4 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,1,0,0,0,0|1,0,1]=3 5 B8R0.22 CCCC(CBr)CCC 78361 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,0,1,0,0|0,1,1]=3 7 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,0,0,1,0,0|1,1,0]=3 10 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,0,0,1,0,0|1,1,0]=3 11 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 P21019 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 F[C@@H]1CNC[C@H](F)C1 P21018 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 NC1CCCC(F)C1 D96615 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,0,0,1,0,0|1,0,0]=2 16 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,0,0,1,0,0|1,1,0]=3 20 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,0,0,1,0,0|1,1,0]=3 21 B8R1.6 NC1CN(CCO)C1 P18354 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.8 NCC[C@H]1CCOC1 D96809 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.11 CC1CCCC1CO 72730 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.11 N#C[C@@H]1CCC[C@@H]1N 38298 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,0,0,1,0,0|1,1,0]=3 33 B8R1.18 CN1C[C@H](O)[C@@H](F)C1 97557 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.18 CN1C[C@H](O)[C@H](N)C1 P17126 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.22 F[C@H]1CCCCNC1 72929 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 F[C@H]1CCCNCC1 72243 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 N[C@H]1CCCCNC1 32198 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.37 N#CC[C@H](N)C1CC1 Y14203 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.66 OCCC1(F)COC1 P12174 [0,0,0,1,0,0|2,0,0]=3 42 B5R0.2 CSCCCCl Y14621 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.11 CCC[C@](C)(N)CO D75112 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.11 C[C@@](O)(CO)CCO A11223 [1,1,0,0,0,0|1,1,0]=4 45 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,2,0,0,0,0|0,1,1]=4 49 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [1,0,0,1,0,0|1,1,0]=4 53 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [1,0,0,1,0,0|1,1,0]=4 57 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [1,0,0,1,0,0|1,1,0]=4 58 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [1,0,0,1,0,0|0,1,0]=3 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|1,1,0]=4 68 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,1,0,0|1,1,0]=4 71 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.6 BrCC[C@H]1CCO1 D79156 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.6 ICC[C@H]1CCO1 D79155 [1,0,0,1,0,0|1,1,0]=4 76 B7R1.6 NCC[C@H]1CCO1 D79157 [1,0,0,1,0,0|1,1,0]=4 77 B7R1.6 NCC[C@H]1CCO1 P17247 [1,0,0,1,0,0|1,1,0]=4 78 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|0,1,0]=3 79 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|0,1,0]=3 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|1,0,0]=3 83 B7R1.8 OCC1CCC1O P20965 [1,0,0,1,0,0|0,1,0]=3 84 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.21 NC1(CCO)CC1 50078 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.22 NC[C@H](N)C1CC1 Y14018 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.25 C[C@]1(CO)CCO1 CS1015 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.25 NCC1(N)CCC1 D96796 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.25 OCC1(O)CNC1 P14885 [1,0,0,1,0,0|1,1,0]=4 92 B7R1.25 OCC1(O)COC1 P16013 [1,0,0,1,0,0|1,1,0]=4 93 B9R1.2 CN1CCO[C@@H](CN)C1 77630 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.2 CN1CCO[C@@H](CN)C1 77631 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,1,0,1,0,0|0,1,0]=3 96 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 P18685 [0,1,0,1,0,0|1,1,0]=4 98 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.15 CN1CCOC[C@@H]1CO 77627 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.15 CO[C@H]1COCC[C@H]1N P15827 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77688 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.15 NC1CCOCC1CO P19367 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 37990 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,1,0,1,0,0|0,1,1]=4 109 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P18870 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,1,0,0|1,1,0]=4 111 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.66 CC1(C)CCC[C@H](N)C1 P19506 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.66 CC1(C)CCC[C@H](N)C1 P19507 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.136 OCCC1CC(F)(F)C1 P12443 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.175 COC1(CCO)COC1 P18427 [0,1,0,1,0,0|1,1,0]=4 119 B9R1.24 OC[C@@H]1NCCC1(F)F P18630 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.24 OC[C@H]1CNCC1(F)F P21116 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.148 C[C@]1(F)CCCNCC1 73027 [0,1,0,1,0,0|2,0,0]=4 122 B9R2.39 FC1CC2CC1CN2 P20400 [0,0,0,2,0,0|2,0,0]=4 123 B9R2.39 OC1CC2CNC1C2 P15968 [0,0,0,2,0,0|2,0,0]=4 124 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [0,0,0,2,0,0|1,0,0]=3 125 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [0,0,0,2,0,0|1,0,0]=3 126 B9R2.68 C1NCC2CC1CO2 P19043 [0,0,0,2,0,0|2,0,0]=4 127 B9R2.2 C1CN[C@H](C2CC2)C1 Y14781 [0,0,0,2,0,0|2,0,0]=4 128 B9R2.2 C1CN[C@H](C2CC2)C1 Y14782 [0,0,0,2,0,0|2,0,0]=4 129 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 D79340 [0,0,0,2,0,0|2,0,0]=4 130 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 P15724 [0,0,0,2,0,0|2,0,0]=4 131 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 P11773 [0,0,0,2,0,0|2,0,0]=4 132 B9R2.173 C1CC2(CCOC2)N1 38609 [0,0,0,2,0,0|2,0,0]=4 133 B9R2.5 O[C@H]1CCCC12CC2 92334 [0,0,0,2,0,0|1,1,0]=4 134 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P11774 [0,0,0,2,0,0|2,0,0]=4 135 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P13087 [0,0,0,2,0,0|2,0,0]=4 136 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P15747 [0,0,0,2,0,0|2,0,0]=4 137 B9R2.70 OC[C@@H]1NC[C@H]2C[C@H]21 P15792 [0,0,0,2,0,0|2,0,0]=4 138 B9R2.123 NC1C2CCCCC12 P18023 [0,0,0,2,0,0|2,0,0]=4 139 B9R2.118 NC1(C2CC2)CCC1 P19104 [0,0,0,2,0,0|2,0,0]=4