0 B6R0.1 CC[C@H](N)CC#N Y13628 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.1 N#CC[C@H](N)CO Y14487 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.3 CC(C)C(=O)CN AT23528 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,0,1,0,0|2,1,0]=4 5 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,0,1,0,0|1,1,0]=3 9 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,0,0,1,0,0|1,0,0]=2 11 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,0,0,1,0,0|1,1,0]=3 22 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,0,0,1,0,0|1,1,0]=3 23 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,0,0,1,0,0|1,1,0]=3 24 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,0,0,1,0,0|2,1,0]=4 26 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,0,0,1,0,0|1,1,0]=3 27 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,0,0,1,0,0|1,1,0]=3 31 B8R1.11 CC1CCCC1CO 72730 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.11 N#C[C@@H]1CCC[C@@H]1N 38298 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,0,0,1,0,0|1,1,0]=3 39 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.38 CC(CO)C1CCO1 P17526 [0,0,0,1,0,0|0,1,0]=2 41 B8R1.38 C[C@@H](CO)N1CCC1 P19737 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.50 CC1CCC(C)C1N F12413 [0,0,0,1,0,0|2,0,0]=3 46 B5R0.2 CSCCCCl Y14621 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.5 CC(N)C(C)O Y13729 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.5 C[C@H](N)[C@H](C)O F16993 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 CCC[C@H](N)CC#N Y14537 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.11 CCC[C@](C)(N)CO D75112 [1,1,0,0,0,0|0,0,0]=2 51 B7R0.11 C[C@@](O)(CO)CCO A11223 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.14 CC(C)(O)[C@@H](F)CN 89813 [1,1,0,0,0,0|2,0,0]=4 53 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 FC[C@H]1CCNC1 P18732 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,1,0,0|0,0,2]=4 57 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [1,0,0,1,0,0|0,1,0]=3 73 B7R1.4 BrC1CCCC1Br D96921 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.6 BrCC[C@H]1CCO1 D79156 [1,0,0,1,0,0|1,1,0]=4 82 B7R1.6 ICC[C@H]1CCO1 D79155 [1,0,0,1,0,0|1,1,0]=4 83 B7R1.6 NCC[C@H]1CCO1 D79157 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.6 NCC[C@H]1CCO1 P17247 [1,0,0,1,0,0|1,1,0]=4 85 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|0,1,0]=3 86 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|0,1,0]=3 87 B7R1.8 NCC1CCC1F P18462 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.8 OCC1CCC1F P19725 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.8 OCC1CCC1O P20965 [1,0,0,1,0,0|0,1,0]=3 90 B7R1.9 NC[C@H]1C[C@H]1CN D79390 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.10 NC[C@H]1C[C@@H](F)C1 P13361 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.21 NC1(CCO)CC1 50078 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.22 NC[C@H](N)C1CC1 Y14018 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.25 C[C@]1(CO)CCO1 CS1015 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.25 NCC1(N)CCC1 D96796 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.25 OCC1(O)CNC1 P14885 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.25 OCC1(O)COC1 P16013 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.17 CC1(C)CC[C@@H]1O P17222 [1,0,0,1,0,0|0,1,0]=3 102 B7R1.17 CC1(C)OC[C@@H]1N P17954 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.18 C[C@H](N)C1CCC1 P15298 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.18 C[C@H](N)C1COC1 79835 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.18 C[C@H](N)C1COC1 79836 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.18 C[C@H](N)C1COC1 83718 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.18 C[C@H](O)C1CNC1 P15030 [1,0,0,1,0,0|1,1,0]=4 108 B7R1.18 C[C@H](O)C1COC1 AT20599 [1,0,0,1,0,0|0,1,0]=3 109 B7R1.18 C[C@H](O)C1COC1 AT20601 [1,0,0,1,0,0|0,1,0]=3 110 B7R1.23 OC[C@H]1CC1(F)F D97114 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.23 OC[C@H]1CC1(F)F P18897 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,0,0,1,0,1|2,0,0]=4 113 B9R1.21 OCC1CCC(CO)O1 D85677 [0,0,0,1,0,1|2,0,0]=4 114 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,1,0,0|1,1,0]=4 118 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.15 CN1CCOC[C@@H]1CN 77626 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.15 CN1CCOC[C@@H]1CO 77627 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.15 CO[C@H]1COCC[C@H]1N P15827 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77688 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.15 NC1CCOCC1CO P19367 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 37990 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,1,0,1,0,0|0,1,1]=4 129 B9R1.24 OC[C@@H]1NCCC1(F)F P18630 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.24 OC[C@H]1CNCC1(F)F P21116 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.40 CC1(C)COCC[C@@H]1O Y13542 [0,1,0,1,0,0|0,1,0]=3 132 B9R1.40 CC1CNCCC1(C)O 73158 [0,1,0,1,0,0|1,1,0]=4 133 B9R2.39 FC1CC2CC1CN2 P20400 [0,0,0,2,0,0|2,0,0]=4 134 B9R2.53 OC1C2CNCC1C2 38098 [0,0,0,2,0,0|1,1,0]=4 135 B9R2.5 O[C@H]1CCCC12CC2 92334 [0,0,0,2,0,0|1,1,0]=4 136 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P11774 [0,0,0,2,0,0|2,0,0]=4 137 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P13087 [0,0,0,2,0,0|2,0,0]=4 138 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P15747 [0,0,0,2,0,0|2,0,0]=4 139 B9R2.70 OC[C@@H]1NC[C@H]2C[C@H]21 P15792 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.140 F[C@H]1CCC12CNC2 P14936 [0,0,0,2,0,0|2,0,0]=4 141 B9R2.140 O=C1CCC12COC2 84056 [0,0,0,2,0,0|0,1,1]=4 142 B9R2.140 O[C@H]1CCC12CNC2 97369 [0,0,0,2,0,0|1,1,0]=4 143 B9R2.140 O[C@H]1COC12CCC2 D96667 [0,0,0,2,0,0|2,0,0]=4