0 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CC(C)CN(C)N=O D93466 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 CN(C)C[C@H](O)CO D95190 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.6 CC(=O)NNC(C)C F19849 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.6 O=C(O)CCC(=O)O D85169 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,1,0,0,0,0|0,0,0]=1 32 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.39 CC(C)\C=C(/C#N)C(=O)O C76434 [0,1,0,0,0,0|0,0,3]=4 36 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C75133 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,1,0,0,0,0|0,0,0]=1 39 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O F20568 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.57 O=C(O)[C@@H](O)CC(F)(F)F AB10170 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,0|0,0,0]=1 47 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,0|0,0,0]=1 48 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,0|1,0,1]=3 65 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,0,1,0,0|0,0,0]=1 67 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,0,1,0,0|0,0,0]=1 68 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.152 NC1(C(=O)O)CC(F)C1 P12535 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,0,0,1,0,0|1,0,1]=3 74 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,0,0,1,0,0|2,0,0]=3 78 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,0,0,0,1,0|2,0,1]=4 79 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,0,0,0,1,0|1,0,0]=2 80 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,0,0,0,1,0|1,0,0]=2 81 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,0,0,0,1,0|1,0,0]=2 82 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,0,0,0,1,0|2,0,0]=3 83 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,0,0,0,1,0|2,0,0]=3 84 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,0,0,0,1,0|1,0,0]=2 85 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,0,0,0,0,1|1,0,1]=3 86 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,0,0,0,0,1|1,0,1]=3 87 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,0,0,0,0,1|1,0,0]=2 88 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,0,0,0,0,1|1,0,0]=2 89 B9R0.7 N=C(N)NC[C@H](N)C(=O)O D80187 [0,0,0,0,0,1|2,0,1]=4 90 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,0,0,0,0,1|2,0,1]=4 91 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,0,0,0,0,1|0,0,0]=1 92 B9R0.53 NC(CC(=O)O)CC(=O)O F12203 [0,0,0,0,0,1|2,0,1]=4 93 B9R0.53 NC(CC(=O)O)CC(=O)O FD10075 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.1 CCC[C@H](N)CO C13482 [2,0,0,0,0,0|0,0,1]=3 95 B6R0.1 N[C@H](CO)CCO AB10026 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.1 N[C@H](CO)CCO AB10027 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.2 CC(C)CC(N)=O C75541 [2,0,0,0,0,0|0,0,1]=3 98 B6R0.2 CC(C)NC(N)=O 44261 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.2 C[C@H](N)CN(C)C 76720 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.2 C[C@H](O)CN(C)C A11394 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|0,0,0]=2 104 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 C=C[C@H](N)C(=O)O 33352 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.3 C=C[C@H](N)C(=O)O 39549 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.3 CC[C@H](C)C(=O)O 88659 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.3 CC[C@H](N)C(N)=O I10243 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 C[C@@H](CN)C(=O)O F15101 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 C[C@@H](CN)C(=O)O F15242 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 NC(=O)[C@@H](N)CO D75098 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.3 NC[C@H](F)C(=O)O T73016 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 NC[C@H](O)C(=O)O O10173 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|0,0,2]=4 122 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [1,1,0,0,0,0|0,0,1]=3 127 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [1,1,0,0,0,0|0,0,1]=3 128 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.9 CC(C)CC\C(N)=N/O W10718 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.9 CCC(C)=CCC(=O)O C75612 [1,1,0,0,0,0|0,0,2]=4 136 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.9 CN(C)CCC(=O)NN AC8035 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.9 O=C(O)CCC(=O)CBr P19462 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.29 CC(C)(N)CNC(N)=O 46044 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.29 CC(C)(S)CCC(=O)O P19032 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,1,0,0,1,0|0,0,0]=2 144 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,1,0,0,1,0|0,0,0]=2 145 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,1,0,0,1,0|0,0,0]=2 146 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,1,0,0,1,0|0,0,0]=2 147 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,1,0,0,1,0|1,0,0]=3 148 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,1,0,0,1,0|0,0,0]=2 149 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,1,0,0,1,0|1,0,0]=3 150 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,1,0,0,1,0|0,0,0]=2 151 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,1,0,0,1,0|0,0,0]=2 152 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,1,0,0,1,0|0,0,0]=2 153 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,1,0,0,1,0|0,0,0]=2 154 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,1,0,0,1,0|0,0,0]=2 155 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,1,0,0,1,0|0,0,0]=2 156 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O C73273 [0,1,0,0,0,1|1,0,1]=4 157 B10R0.13 CC(C)=CC(=O)[C@H](N)C(=O)O C74686 [0,1,0,0,0,1|0,0,2]=4 158 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O D93747 [0,1,0,0,0,1|0,0,0]=2 159 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O 70252 [0,1,0,0,0,1|1,0,0]=3 160 B10R0.92 N[C@@H](COC(F)(F)F)C(=O)O AT10137 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.4 NC1COCC(O)C1 91463 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.42 CC(C)CC1(N)CC1 F14584 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.53 CC1(C)CC(C=O)C1 93337 [1,0,0,1,0,0|1,0,0]=3 169 B8R1.53 CC1(C)CC(CO)C1 P12134 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.62 NC1(CO)CC(F)C1 P15050 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|1,0,0]=3 177 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|0,0,0]=2 184 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.23 O=C(O)C1CC(F)C1 37218 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [1,0,0,1,0,0|0,0,0]=2 203 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.78 NC(=O)C1(N)COC1 P19028 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.78 NC1(C(=O)O)CNC1 38052 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.78 NC1(C(=O)O)CSC1 P11488 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.78 O=C(O)C1(O)CCC1 F50565 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.78 O=C(O)C1(O)CNC1 P12583 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.3 CC1CCC(O)CC1 D73186 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.3 O=C1CCC(F)CC1 23163 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.3 O=C1CC[C@H](O)CN1 62219 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,1,0,1|1,0,1]=4 231 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,0,0,1,0,1|1,0,0]=3 232 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,0,0,1,0,1|1,0,0]=3 233 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,0,0,1,0,1|1,0,0]=3 234 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,0,0,1,0,1|1,0,1]=4 235 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,0,0,1,0,1|2,0,0]=4 236 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,0,0,1,0,1|1,0,0]=3 237 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,0,0,1,0,1|1,0,0]=3 238 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,0,0,1,0,1|1,0,0]=3 239 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,0,0,1,0,1|1,0,0]=3 240 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,0,0,1,0,1|2,0,0]=4 242 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,0,0,1,0,1|1,0,1]=4 243 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,0,0,1,0,1|1,0,1]=4 244 B10R1.349 CC(C)C1CC(C(=O)O)C1 70890 [0,0,0,1,0,1|1,0,0]=3 245 B10R1.349 CC(C)N1CC(C(=O)O)C1 D70989 [0,0,0,1,0,1|1,0,0]=3 246 B10R1.349 CN(C)C1CC(C(=O)O)C1 P13961 [0,0,0,1,0,1|2,0,0]=4 247 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P12511 [0,0,0,1,0,1|1,0,0]=3 248 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 26955 [0,0,0,1,0,1|1,0,0]=3 249 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O P18440 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 P10045 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 38842 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.566 NC(=O)C1(N)CC(F)(F)C1 P20109 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 38386 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,1,0,0|1,0,0]=3 260 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,1,0,0|2,0,0]=4 268 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 P18030 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.413 COC(=O)C1CC(C)(C)C1 37689 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 P13533 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,1,0,1,0,0|0,0,0]=2 279 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,1,0,1,0,0|0,0,0]=2 293 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,1,0,1,0,0|0,0,0]=2 294 B10R1.490 NC1(C(=O)O)CC(CO)C1 P15911 [0,1,0,1,0,0|0,0,0]=2 295 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 P17677 [0,1,0,1,0,0|0,0,0]=2 296 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,2,0,0|0,0,0]=2 297 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,2,0,0|1,0,0]=3 298 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,2,0,0|1,0,0]=3 299 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,2,0,0|1,0,0]=3 300 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,2,0,0|0,0,0]=2 301 B10R2.633 O=C(O)C1CC1C2CC2 P10168 [0,0,0,2,0,0|1,0,0]=3 302 B10R2.636 NC12CC(C(=O)O)(C1)C2 P10882 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.636 O=C(O)C12CC(F)(C1)C2 P17168 [0,0,0,2,0,0|2,0,0]=4 304 B8R0.28 CC(=O)NCCC(C)C S10520 [1,0,0,0,0,1|1,0,0]=3 305 B8R0.28 CC(=O)OCCC(=O)O C77559 [1,0,0,0,0,1|1,0,1]=4 306 B8R0.28 CC(C)=CCCC(=O)O F16793 [1,0,0,0,0,1|0,0,1]=3 307 B8R0.28 CC(C)CNCC(=O)O W10796 [1,0,0,0,0,1|0,0,0]=2