0 B9R1.35 CC(=O)N1CC[C@H](N)C1 C77695 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CC1CC(C(=O)O)CN1 AT24890 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1CCC(C(=O)O)C1 72652 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24897 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24899 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21805 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21807 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24892 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24894 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 NC(=O)C1CC(O)CN1 D77113 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 N[C@H]1CC=C(C(=O)O)C1 AT12406 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 O=C(O)C1CCC(F)C1 73187 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 O=C(O)[C@@H]1CC(Br)=NO1 C14199 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22252 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22255 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22257 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22251 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22256 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22258 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.1 C[C@H]1CN[C@@H](CF)C1 W10040 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 NCC1CCC(O)C1 D76686 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91825 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.1 OCC1CCC(O)C1 D76829 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C15028 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C73873 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.14 CNC(=O)[C@H]1CC[C@H](N)C1 D96550 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.14 COC(=O)C1=CC[C@H](N)C1 AT12407 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)N1 AT24196 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)N1 AT24200 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 AT24201 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 AT24202 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 D75937 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.14 COC(=O)[C@@H]1C[C@@H](C)CN1 AT21808 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.14 COC(=O)[C@@H]1C[C@@H](C)CN1 AT21811 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 AT21809 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 AT21810 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CS1 AT21244 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 AT22315 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P19221 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P18887 [0,1,0,0,0,0|1,0,1]=3 53 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P21046 [0,1,0,0,0,0|1,0,1]=3 54 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@@H]1F AT19075 [0,1,0,0,0,0|0,0,0]=1 55 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@H]1F AT19073 [0,1,0,0,0,0|0,0,0]=1 56 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@@H]1F AT19071 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@H]1F AT19052 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23799 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23800 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT24216 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 AT21818 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.470 C[C@@]1(C(=O)O)C[C@@H](O)CN1 94875 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.470 C[C@@]1(C(=O)O)C[C@H](O)CN1 94874 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91935 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91938 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91936 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91939 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.9 C=C[C@@H](N)CCC(=O)O F51879 [0,0,1,0,0,0|2,0,1]=4 70 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,0,1,0,0,0|1,0,0]=2 71 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.23 N[C@@H](CB(O)O)C(=O)O AT22237 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19559 [0,0,1,0,0,0|2,0,0]=3 74 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19560 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [0,0,1,0,0,0|2,0,1]=4 76 B8R0.28 O=C(O)COCC(F)F AT25472 [0,0,1,0,0,0|3,0,0]=4 77 B10R2.346 O=C(O)[C@H]1NC2CC1C2 AT22907 [0,0,0,1,0,0|3,0,0]=4 78 B10R2.348 O=C(O)C12CC(CN1)C2 F13377 [0,0,0,1,0,0|1,0,0]=2 79 B10R2.348 O=C(O)C12CCC(C1)C2 P20284 [0,0,0,1,0,0|2,0,0]=3 80 B10R2.348 O=C(O)C12CNC(C1)C2 AT20593 [0,0,0,1,0,0|3,0,0]=4 81 B10R2.348 O=C(O)C12COC(C1)C2 AT20090 [0,0,0,1,0,0|3,0,0]=4 82 B10R2.355 O=C(O)C1CNC2CC21 91928 [0,0,0,1,0,0|3,0,0]=4 83 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P10334 [0,0,0,1,0,0|1,0,0]=2 84 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P20010 [0,0,0,1,0,0|1,0,0]=2 85 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P10238 [0,0,0,1,0,0|1,0,0]=2 86 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 O10013 [0,0,0,1,0,0|2,0,0]=3 87 B10R2.357 O=C(O)C1CC2CC2N1 91929 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.23 CN(C)[C@H]1C[C@@H](O)C1 AT20144 [0,0,0,0,1,0|3,0,0]=4 89 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,0,0,0,1,0|1,0,0]=2 90 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,0,0,0,1,0|3,0,0]=4 91 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,0,0,0,1,0|2,0,0]=3 92 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,0,0,0,1,0|2,0,0]=3 93 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [0,0,0,0,1,0|1,0,2]=4 94 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,0,0,0,1,0|2,0,0]=3 95 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,0,0,0,1,0|2,0,0]=3 96 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,0,0,0,1,0|2,0,0]=3 97 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,0,0,0,1,0|2,0,0]=3 98 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,0,0,0,1,0|2,0,0]=3 99 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,0,0,0,1,0|2,0,0]=3 100 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,0,0,0,1,0|2,0,0]=3 101 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,0,0,0,1,0|2,0,0]=3 102 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,0,0,0,1,0|2,0,0]=3 103 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,0,0,0,1,0|2,0,0]=3 104 B8R1.31 O=C(O)C1CCC1O D74978 [0,0,0,0,1,0|1,0,0]=2 105 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,0,0,0,1,0|1,0,2]=4 106 B10R1.13 C[C@H]1CN[C@H](C(=O)O)CO1 C77420 [0,0,0,0,0,1|1,0,0]=2 107 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 70212 [0,0,0,0,0,1|0,0,0]=1 108 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P12483 [0,0,0,0,0,1|0,0,0]=1 109 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55713 [0,0,0,0,0,1|0,0,2]=3 110 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55715 [0,0,0,0,0,1|0,0,2]=3 111 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](O)C1 F18068 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 49325 [0,0,0,0,0,1|1,0,0]=2 113 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11799 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.113 O=C(O)C1CC(O)CCN1 F53697 [0,0,0,0,0,1|0,0,0]=1 115 B10R1.113 O=C(O)C1CS(=O)CCN1 E72832 [0,0,0,0,0,1|1,0,1]=3 116 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 AT10792 [0,0,0,0,0,1|0,0,2]=3 117 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 FD7137 [0,0,0,0,0,1|0,0,2]=3 118 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [0,0,0,0,0,1|1,0,2]=4 119 B7R0.3 C[C@H](CN)CCCO AC9867 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.4 CCCCC[13C](=O)O 41454 [1,0,1,0,0,0|1,0,0]=3 121 B7R0.4 C[S@](=O)CCCCN AT23964 [1,0,1,0,0,0|2,0,0]=4 122 B7R0.4 NCCCCC(N)=O D77059 [1,0,1,0,0,0|1,0,0]=3 123 B7R0.4 O=C(O)COCCBr C70239 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.4 O=C(O)COCCF AT25496 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [1,0,1,0,0,0|2,0,0]=4 127 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.6 O=C(O)CCB(O)O E72861 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.6 O=C(O)CCC(F)F P19183 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.15 NC[C@@H](CO)C(=O)O C91703 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.15 NC[C@@H](CO)C(=O)O FD10303 [1,0,1,0,0,0|2,0,0]=4 134 B7R1.1 CC[C@H]1CCCN1 RB4030 [2,0,0,0,0,0|1,0,1]=4 135 B7R1.1 FC[C@H]1CCCN1 P12557 [2,0,0,0,0,0|1,0,1]=4 136 B7R1.1 O=C[C@@H]1CCCO1 98506 [2,0,0,0,0,0|1,0,0]=3 137 B7R1.1 O=C[C@@H]1CCCO1 98507 [2,0,0,0,0,0|1,0,0]=3 138 B7R1.1 O=C[C@H]1CCOC1 58457 [2,0,0,0,0,0|2,0,0]=4 139 B7R1.1 O=C[C@H]1CCOC1 58458 [2,0,0,0,0,0|2,0,0]=4 140 B7R1.1 OC[C@H]1CCON1 AT14857 [2,0,0,0,0,0|1,0,1]=4 141 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [2,0,0,0,0,0|0,0,1]=3 142 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [2,0,0,0,0,0|1,0,1]=4 144 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [2,0,0,0,0,0|0,0,1]=3 145 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [2,0,0,0,0,0|1,0,1]=4 146 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19792 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19793 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.11 CN(C)C[C@](C)(N)C(=O)O AT25501 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.11 [2H][C@](N)(CC(C)C)C(=O)O D99373 [0,1,1,0,0,0|1,0,0]=3 150 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81474 [0,1,1,0,0,0|1,0,0]=3 151 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26520 [0,1,1,0,0,0|1,1,0]=4 152 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26523 [0,1,1,0,0,0|1,1,0]=4 153 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F 90910 [0,1,1,0,0,0|2,0,0]=4 154 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O P14828 [0,1,1,0,0,0|1,0,1]=4 155 B9R0.56 O=C(O)CNCC(F)(F)F AT25460 [0,1,1,0,0,0|2,0,0]=4 156 B9R1.21 CO[C@@H]1CN[C@H](CO)C1 AT22834 [1,1,0,0,0,0|0,0,1]=3 157 B9R1.132 OC[C@@H]1NC[C@H](O)[C@H]1O C91319 [1,1,0,0,0,0|0,0,1]=3 158 B9R1.132 OC[C@@H]1SC[C@@H](O)[C@H]1O F12851 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.132 OC[C@@H]1SC[C@H](O)[C@H]1O 95518 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.133 OC[C@H]1CC(F)(F)CN1 AT22249 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.41 CC(O)C1CCCN1C AT23389 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.41 CC1CCNC1C(=O)O E72830 [1,1,0,0,0,0|0,0,0]=2 163 B9R1.41 CC1CNCC1C(=O)O AT17201 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.41 O=C(O)C1CCCC1O AT25921 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.41 O=C(O)C1NCCC1F AT19446 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [1,1,0,0,0,0|0,0,0]=2 174 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [1,1,0,0,0,0|0,0,0]=2 175 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [1,1,0,0,0,0|0,0,0]=2 176 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [1,1,0,0,0,0|0,0,0]=2 177 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20956 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.163 O=C(O)[C@]1(F)CCNC1 94893 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.163 O=C(O)[C@]1(F)CCNC1 94894 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.163 O=C(O)[C@]1(F)CCOC1 AT22082 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.51 CS(=O)(=O)C1CC(O)C1 AT26778 [0,1,0,0,1,0|1,0,1]=4 182 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 AT19216 [0,1,0,0,1,0|0,0,2]=4 183 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.95 NCC1CC(C(=O)O)C1 P13732 [0,1,0,0,1,0|1,0,0]=3 185 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P18552 [0,1,0,0,1,0|0,0,0]=2 186 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P18553 [0,1,0,0,1,0|0,0,0]=2 187 B9R1.152 CC1CC(N)(C(=O)O)C1 AT19782 [0,1,0,0,1,0|1,0,0]=3 188 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P13492 [0,1,0,0,1,0|1,0,0]=3 189 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 38151 [0,1,0,0,1,0|1,0,0]=3 190 B9R1.152 NC1(C(=O)O)CC(=O)C1 AT23624 [0,1,0,0,1,0|0,0,2]=4 191 B9R1.152 NC1CC(O)(C(=O)O)C1 AT22154 [0,1,0,0,1,0|1,0,0]=3 192 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 E73116 [0,1,0,0,1,0|1,0,0]=3 193 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 P18144 [0,1,0,0,1,0|0,0,0]=2 194 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 P18145 [0,1,0,0,1,0|0,0,0]=2 195 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 P18178 [0,1,0,0,1,0|0,0,0]=2 196 B9R1.164 CC1(C)C[C@@H](C(=O)O)N1 AT23789 [0,1,0,0,1,0|1,0,0]=3 197 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 91897 [0,1,0,0,1,0|1,0,0]=3 198 B9R1.52 CC1CN(C)[C@@H]1C(=O)O P15972 [0,1,0,0,1,0|1,0,0]=3 199 B9R1.52 C[C@@H]1CN(C)[C@@H]1C(=O)O D96588 [0,1,0,0,1,0|1,0,0]=3 200 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,1,0,0,1,0|2,0,0]=4 201 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,1,0,0,1,0|2,0,0]=4 203 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,1,0,0,1,0|2,0,0]=4 205 B9R1.96 O=C(O)C1CCC1CO D75979 [0,1,0,0,1,0|1,0,0]=3 206 B9R1.166 CC1(C)CO[C@@H]1C(=O)O E72851 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 E71886 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)NC1 C15203 [0,1,0,0,0,1|1,0,0]=3 209 B11R1.22 COC(=O)C1CCC(Br)CC1 D77081 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.22 COC(=O)[C@@H]1CC[C@@H](O)CN1 91189 [0,1,0,0,0,1|0,0,0]=2 211 B11R1.22 COC(=O)[C@@H]1CC[C@@H](O)CN1 C91965 [0,1,0,0,0,1|0,0,0]=2 212 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 P12472 [0,1,0,0,0,1|0,0,0]=2 213 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P13005 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.166 C[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O D96623 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.220 NC1(C(=O)O)CCC(F)CC1 AC9060 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.727 CC1(C)CC[C@H](C(=O)O)CN1 AT24261 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.727 CC1(C)CC[C@H](C(=O)O)CO1 92415 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CO1 P19039 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.39 COC(=O)C[C@H]1C[C@H](O)CN1 F51546 [0,1,0,0,0,1|0,0,0]=2 220 B11R1.710 O=C(O)C[C@H]1CCC(F)(F)C1 AT26921 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.23 COC(=O)C1CC(O)CCO1 AT14694 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.23 COC(=O)C1COCC(N)C1 AT13737 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.23 COC(=O)C1COCC(O)C1 P17612 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 38136 [0,1,0,0,0,1|0,0,2]=4 225 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 AT10466 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)C1 32832 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)O1 AT15860 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)O1 AT15856 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)O1 AT15859 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.23 COC(=O)[C@@H]1COC[C@@H](N)C1 C91885 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 P20240 [0,1,0,0,0,1|1,0,0]=3 232 B11R1.74 CC1CC(C(=O)O)CC(C)S1 89939 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.74 C[C@H]1C[C@@H](C(=O)O)C[C@@H](C)N1 E73105 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.74 C[C@H]1C[C@@H](C)C[C@@H](C(=O)O)N1 E73253 [0,1,0,0,0,1|1,0,0]=3 235 B11R1.730 CC1(C)CNC[C@@H](C(=O)O)O1 F18916 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.730 O=C(O)[C@@H]1CNCC(F)(F)C1 S11486 [0,1,0,0,0,1|1,0,0]=3 237 B11R1.44 COC(=O)C1CCC(CN)C1 P18296 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.44 COC(=O)[C@@H]1C[C@H](OC)CN1 56601 [0,2,0,0,0,0|0,0,0]=2 239 B11R1.44 COC(=O)[C@H]1CC[C@@H](C=O)C1 AT13556 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.226 COC(=O)[C@H]1C[C@H](O)C(=O)N1 AC9788 [0,2,0,0,0,0|0,0,1]=3 241 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 AT21819 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.885 COC(=O)[C@]1(C)C[C@@H](O)CN1 94876 [0,2,0,0,0,0|0,0,0]=2 243 B11R1.885 COC(=O)[C@]1(C)C[C@H](O)CN1 94877 [0,2,0,0,0,0|0,0,0]=2 244 B11R1.124 CCO[C@H]1CN[C@H](C(=O)O)C1 D75427 [0,2,0,0,0,0|0,0,0]=2 245 B11R1.644 NC1CC(C(=O)O)CC1(F)F F30471 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.738 C[C@]1(C(=O)O)CCC(F)(F)C1 AT15960 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.738 N[C@@]1(C(=O)O)CCC(F)(F)C1 97650 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.6 O=C(O)[C@@H]1CSCCN1 AT23662 [0,0,1,1,0,0|0,1,0]=3 249 B9R1.110 CC(C(=O)O)C1CCO1 P20432 [0,0,1,1,0,0|1,0,0]=3 250 B9R1.112 C[C@H](SC1CC1)C(=O)O AC8726 [0,0,1,1,0,0|2,0,0]=4 251 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21307 [0,0,1,1,0,0|2,0,0]=4 252 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21313 [0,0,1,1,0,0|2,0,0]=4 253 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,0,1,1,0,0|1,0,0]=3 254 B9R1.84 O=C(O)CCC1COC1 52191 [0,0,1,1,0,0|2,0,0]=4 255 B9R1.84 O=C(O)COC1CNC1 AT23441 [0,0,1,1,0,0|2,0,0]=4 256 B9R1.147 CC(=O)CCC1(O)CC1 AT24658 [0,0,1,1,0,0|2,0,0]=4 257 B9R1.179 O=C(O)C1(CCF)CC1 AT15954 [0,0,1,1,0,0|2,0,0]=4 258 B9R1.36 CC1(C)C[C@H](N)C(=O)N1 AT23524 [0,0,1,1,0,0|2,0,0]=4 259 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11293 [0,0,1,1,0,0|2,0,0]=4 260 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11295 [0,0,1,1,0,0|2,0,0]=4 261 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O AT12985 [0,0,1,1,0,0|1,0,0]=3 262 B9R1.169 CC1(C)C[C@@]1(O)C(=O)O AT22983 [0,0,1,1,0,0|2,0,0]=4 263 B9R1.169 N[C@@]1(C(=O)O)CC1(F)F P13957 [0,0,1,1,0,0|2,0,0]=4 264 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 P13499 [0,0,1,1,0,0|2,0,0]=4 265 B9R1.53 O=C(O)CC1CC(F)C1 P21074 [0,0,1,1,0,0|2,0,0]=4 266 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 AT10150 [0,0,1,1,0,0|1,0,0]=3 267 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 AT10149 [0,0,1,1,0,0|1,0,0]=3 268 B9R2.39 OC1CC2CNC1C2 P12575 [1,0,0,1,0,0|1,0,1]=4 269 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 D73085 [1,0,0,1,0,0|1,0,1]=4 270 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P14683 [1,0,0,1,0,0|1,0,1]=4 271 B9R2.47 O=CC1CC2CC2C1 AT24728 [1,0,0,1,0,0|2,0,0]=4 272 B9R2.61 OCC12CC(CN1)C2 AT20578 [1,0,0,1,0,0|1,0,1]=4 273 B9R2.19 O=C1CCC2CC1C2 P12658 [0,0,0,1,1,0|2,0,0]=4 274 B9R2.19 O=C1NCC2CC1N2 P12451 [0,0,0,1,1,0|2,0,0]=4 275 B9R2.145 CC(=O)C12CC(C1)C2 P20318 [0,0,0,1,1,0|2,0,0]=4 276 B11R2.746 O=C(O)[C@@]12CC[C@H](O)[C@@H]1C2 97940 [0,0,0,1,0,1|1,0,0]=3 277 B11R2.839 O=C(O)C1CCC2CC2C1 AT14828 [0,0,0,1,0,1|2,0,0]=4 278 B11R2.839 O=C(O)[C@@H]1CCC2CC2N1 C92648 [0,0,0,1,0,1|1,0,0]=3 279 B11R2.839 O=C(O)[C@@H]1CCC2CC2N1 C92654 [0,0,0,1,0,1|1,0,0]=3 280 B11R2.1839 O=C(O)C12CCC(CC1)N2 F51325 [0,0,0,1,0,1|2,0,0]=4 281 B11R2.1839 O=C(O)C12CCC(CC1)N2 F51326 [0,0,0,1,0,1|2,0,0]=4 282 B11R2.1839 O=C(O)C12CCC(CN1)C2 AT22688 [0,0,0,1,0,1|1,0,0]=3 283 B11R2.1839 O=C(O)C12CCC(CN1)C2 AT24295 [0,0,0,1,0,1|1,0,0]=3 284 B11R2.1839 O=C(O)C12COC(CN1)C2 AT19738 [0,0,0,1,0,1|1,0,0]=3 285 B11R2.1839 O=C(O)[C@]12CO[C@H](CN1)C2 AT19721 [0,0,0,1,0,1|1,0,0]=3 286 B11R2.1839 O=C(O)[C@]12CO[C@H](CN1)C2 AT19735 [0,0,0,1,0,1|1,0,0]=3 287 B11R2.434 O=C1CC2CC(O)C(C1)N2 AT24538 [0,0,0,1,0,1|1,0,0]=3 288 B11R2.845 O=C(O)C1N[C@H]2CC[C@@H]1C2 W19725 [0,0,0,1,0,1|2,0,0]=4 289 B11R2.934 O=C(O)CC1CC2CC2C1 AT24729 [0,0,0,1,0,1|2,0,0]=4 290 B11R2.411 N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 E73188 [0,0,0,1,0,1|2,0,0]=4 291 B11R2.1826 O=C(O)C12CC(CCN1)C2 P12520 [0,0,0,1,0,1|1,0,0]=3 292 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2C[C@@H]21 P18669 [0,0,0,1,0,1|1,0,0]=3 293 B11R2.60 O=C1CO[C@@H]2[C@@H](O)CO[C@H]12 AT25870 [0,1,0,1,0,0|1,0,0]=3 294 B11R2.60 O=C1CO[C@H]2[C@@H]1OC[C@H]2O AT25871 [0,1,0,1,0,0|1,0,0]=3 295 B11R2.738 O=C1N[C@H]2C[C@@H]1[C@@H](O)[C@H]2O E72307 [0,1,0,1,0,0|2,0,0]=4 296 B11R2.901 COC(=O)C12CC(CN1)C2 P13644 [0,1,0,1,0,0|1,0,0]=3 297 B11R2.911 COC(=O)[C@H]1NC[C@@H]2C[C@H]12 P15700 [0,1,0,1,0,0|1,0,0]=3 298 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 P13876 [0,1,0,1,0,0|1,0,0]=3 299 B11R2.1868 O=C(O)[C@H]1CCC2(C1)N=N2 AT13403 [0,1,0,1,0,0|2,0,0]=4 300 B11R2.1868 O=C(O)[C@H]1CCC2(CC2)C1 89908 [0,1,0,1,0,0|2,0,0]=4 301 B11R2.1051 C[C@@H]1OC2(C(=O)O)CC1C2 AT20092 [0,1,0,1,0,0|2,0,0]=4 302 B11R2.740 CN1CC2CC1(C(=O)O)C2 AT20586 [0,1,0,1,0,0|1,0,0]=3 303 B11R2.2454 CC12CNC(C(=O)O)(C1)C2 AT20587 [0,1,0,1,0,0|1,0,0]=3 304 B11R2.2454 CC12COC(C(=O)O)(C1)C2 AT20091 [0,1,0,1,0,0|2,0,0]=4 305 B11R2.2454 NC12CCC(C(=O)O)(C1)C2 AT21421 [0,1,0,1,0,0|2,0,0]=4 306 B11R2.2454 NC12COC(C(=O)O)(C1)C2 AT21432 [0,1,0,1,0,0|2,0,0]=4 307 B11R2.2454 NC12COC(C(=O)O)(C1)C2 AT21443 [0,1,0,1,0,0|2,0,0]=4 308 B11R2.2454 O=C(O)C12CCC(F)(C1)C2 AT25247 [0,1,0,1,0,0|2,0,0]=4 309 B11R2.2454 O=C(O)C12CCC(I)(C1)C2 AT25248 [0,1,0,1,0,0|2,0,0]=4 310 B11R2.2454 O=C(O)C12CCC(O)(C1)C2 AT21422 [0,1,0,1,0,0|1,0,0]=3 311 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,0,1,0,1,0|1,0,0]=3 312 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,0,1,0,1,0|0,0,0]=2 313 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,0,1,0,1,0|1,0,0]=3 314 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,0,1,0,1,0|2,0,0]=4 315 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [1,0,0,0,1,0|1,0,1]=4 316 B7R1.10 CC1CC(CO)C1 57437 [1,0,0,0,1,0|1,0,1]=4 317 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [1,0,0,0,1,0|2,0,0]=4 318 B7R1.10 CSC1CC(O)C1 AT20178 [1,0,0,0,1,0|2,0,0]=4 319 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [1,0,0,0,1,0|2,0,0]=4 320 B7R1.10 NC1CC(CO)C1 P10843 [1,0,0,0,1,0|1,0,1]=4 321 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [1,0,0,0,1,0|1,0,1]=4 322 B7R1.18 CC(=O)C1CNC1 C14559 [1,0,0,0,1,0|2,0,0]=4 323 B7R1.18 NC(=O)N1CCC1 D77052 [1,0,0,0,1,0|2,0,0]=4 324 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [1,0,0,0,1,0|1,0,0]=3 325 B7R1.18 O=C(Cl)C1COC1 AT24224 [1,0,0,0,1,0|2,0,0]=4 326 B7R1.18 O=[S@](O)C1CCC1 AT20162 [1,0,0,0,1,0|1,0,0]=3 327 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,0,2,0|1,0,0]=3 328 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,0,2,0|1,0,0]=3 329 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,0,2,0|1,0,0]=3 330 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,0,2,0|1,0,0]=3 331 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [0,0,1,0,0,1|2,0,0]=4