0 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.2 COC(C)CC(C)O 78061 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 N[C@H](CO)CC(=O)O D95019 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 N[C@H](CO)CC(=O)O F14029 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [1,0,0,0,0,0|0,0,1]=2 28 B7R0.16 CC(=O)C(N)C(C)=O F17513 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [1,0,0,0,0,0|1,0,0]=2 35 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl D83266 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O FD21799 [0,1,0,0,0,0|0,0,0]=1 37 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,1,0,0,0,0|0,0,0]=1 40 B9R1.3 N[C@@H]1[C@@H](O)CCC[C@H]1O W13742 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.41 O=C(O)C1CNCC1O 73173 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,0,0,1,0,0|1,0,0]=2 52 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,0,0,1,0,0|0,0,0]=1 57 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,0,0,1,0,0|0,0,0]=1 58 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,0,0,1,0,0|1,0,0]=2 60 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P15964 [0,0,0,1,0,0|0,0,0]=1 61 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,0,0,0,0,1|0,0,0]=1 62 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,0,0,0,0,1|0,0,0]=1 63 B6R0.1 CCC[C@H](N)CO C13482 [2,0,0,0,0,0|0,0,1]=3 64 B6R0.1 CC[C@H](S)CCO D84734 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 N[C@H](CO)CCO AB10026 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.1 N[C@H](CO)CCO AB10027 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 CC(C)CC(N)=O C75541 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.2 CC(C)NC(N)=O 44261 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.2 C[C@H](O)CC(=O)O C10552 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.3 C=C[C@H](N)C(=O)O 33352 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.3 C=C[C@H](N)C(=O)O 39549 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.3 CC(C)[C@@H](C)CO D93394 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.3 CC[C@H](C)C(=O)O 88659 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.3 CC[C@H](N)C(N)=O I10243 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 C[C@@H](CN)C(=O)O F15101 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.3 C[C@@H](CN)C(=O)O F15242 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.3 NC(=O)[C@@H](N)CO D75098 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.3 NC[C@H](F)C(=O)O T73016 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 NC[C@H](O)C(=O)O O10173 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.23 CC(C)N(C)CC(=O)O 71944 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.34 CC(C)(CN)CC(=O)O C11406 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.34 CCS(=O)(=O)CC(=O)O AC1450 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,0]=3 108 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [1,1,0,0,0,0|0,0,1]=3 109 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [1,1,0,0,0,0|0,0,1]=3 110 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,1,0,0,0,0|0,0,0]=2 113 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,1,0,0,0,0|1,0,0]=3 116 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [1,1,0,0,0,0|0,0,0]=2 117 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [1,1,0,0,0,0|0,0,0]=2 122 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [1,1,0,0,0,0|0,0,0]=2 124 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [1,1,0,0,0,0|0,0,0]=2 125 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [1,1,0,0,0,0|0,0,0]=2 127 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [1,1,0,0,0,0|0,0,0]=2 128 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [1,1,0,0,0,0|0,0,0]=2 129 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [0,2,0,0,0,0|0,0,0]=2 130 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC FD21820 [0,2,0,0,0,0|0,0,0]=2 131 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,2]=4 132 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 142 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.31 CC1NCC1C(=O)O P14366 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|1,0,0]=3 158 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.34 N=C(N)CC1CCC1 33747 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|1,0,0]=3 166 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|1,0,0]=3 167 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.43 N#CC1CC1C(=O)O P14648 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.62 CC1(CO)CC(=O)C1 39121 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|0,0,0]=2 187 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,1,0,0|1,0,0]=3 188 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.23 O=C(O)C1CC(F)C1 37218 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [1,0,0,1,0,0|0,0,0]=2 206 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.78 NC(=O)C1(N)COC1 P19028 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.78 NC1(C(=O)O)CNC1 38052 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.78 NC1(C(=O)O)CSC1 P11488 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.78 O=C(O)C1(O)CCC1 F50565 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.78 O=C(O)C1(O)CNC1 P12583 [1,0,0,1,0,0|2,0,0]=4 212 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,1,0,1|1,0,0]=3 213 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,0,0,1,0,1|2,0,0]=4 214 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,0,0,1,0,1|2,0,0]=4 215 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,0,0,1,0,1|2,0,0]=4 216 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,0,0,1,0,1|2,0,0]=4 218 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,0,0,1,0,1|0,0,0]=2 219 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,0,0,1,0,1|2,0,0]=4 226 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,0,0,1,0,1|2,0,0]=4 228 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,0,0,1,0,1|2,0,0]=4 229 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,0,0,1,0,1|2,0,0]=4 230 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,0,0,1,0,1|2,0,0]=4 231 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,0,0,1,0,1|1,0,1]=4 232 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,0,0,1,0,1|0,0,0]=2 233 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,0,0,1,0,1|0,0,0]=2 234 B10R1.490 NC1(C(=O)O)CC(CO)C1 P15911 [0,0,0,1,0,1|1,0,0]=3 235 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 P17677 [0,0,0,1,0,1|1,0,0]=3 236 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 30865 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC1163 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.23 NC(C(=O)O)C1CCNC1 67423 [0,1,0,1,0,0|0,0,0]=2 239 B10R1.23 NC(C(=O)O)C1CCOC1 67390 [0,1,0,1,0,0|0,0,0]=2 240 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O D96820 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,1,0,0|0,0,0]=2 242 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,1,0,0|1,0,0]=3 243 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11330 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.149 COC(=O)C1CNCC1C F21201 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O 89325 [0,1,0,1,0,0|1,0,0]=3 265 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O P15500 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P14684 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O VT1192 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,1,0,1,0,0|0,0,0]=2 269 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,1,0,1,0,0|0,0,0]=2 270 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,1,0,1,0,0|0,0,0]=2 271 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,1,0,1,0,0|0,0,0]=2 272 B10R1.182 COC(=O)[C@@H](N)C1COC1 59697 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.182 COC(=O)[C@@H](N)C1COC1 93236 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.219 CC(=O)[C@@H](C#N)C1CCC1 55424 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O 52532 [0,1,0,1,0,0|0,0,0]=2 276 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O F12448 [0,1,0,1,0,0|2,0,0]=4 277 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,2,0,0|0,0,0]=2 278 B10R2.638 O=C(O)[C@H]1CC12CCC2 90961 [0,0,0,2,0,0|1,0,0]=3 279 B8R0.9 CCC(C)=CCC(=O)O C75612 [1,0,0,0,0,1|0,0,1]=3 280 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,0,0,0,0,1|1,0,0]=3 281 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,0,0,0,0,1|2,0,0]=4 282 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [1,0,0,0,0,1|2,0,0]=4