0 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.16 N=C(N)[C@H](N)C(N)=O C90281 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C=C(I)CC(=O)O E73427 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.2 CC(N)CC(C)O AT23544 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 C#C[C@@H](N)C(=O)O F30985 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.3 C#C[C@@H](N)C(=O)O F30986 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.3 C#C[C@@H](N)C(=O)O F30987 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.3 C#C[C@@H](O)C(=O)O T72410 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CC(C)[C@@H](N)CF AC4773 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CC(C)[C@@H](N)CF AC5313 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CC(C)[C@@H](N)CF AC7091 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.3 C[C@H](O)C(=N)NO AT25257 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 N[C@@H](CO)C(F)F 92934 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 N[C@@H](CO)C(F)F 92936 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 N[C@@H](CO)C(F)F C93218 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 N[C@@H](CO)C(F)F C93220 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.37 CC(C)(C(=O)O)C(F)F AT13772 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.37 CC(O)(C(=O)O)C(=O)O AT23393 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.37 CC(O)C(C)(N)C(=O)O AT25333 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O CX1253 [0,1,0,0,0,0|0,0,0]=1 36 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O D75477 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25345 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25346 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.31 O=C(O)C1CCC1O D74978 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,0,0,1,0,0|2,0,0]=3 61 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,0,0,0,0,1|2,0,0]=3 62 B8R0.23 N[C@@H](CB(O)O)C(=O)O AT22237 [0,0,0,0,0,1|2,0,0]=3 63 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24419 [0,0,0,0,0,1|2,0,0]=3 64 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24420 [0,0,0,0,0,1|2,0,0]=3 65 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24421 [0,0,0,0,0,1|2,0,0]=3 66 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19559 [0,0,0,0,0,1|2,0,0]=3 67 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19560 [0,0,0,0,0,1|2,0,0]=3 68 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [0,0,0,0,0,1|2,0,1]=4 69 B5R0.1 CNC[C@H](C)O C77457 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 C[C@H](O)CCN D77178 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.3 C#C[C@@H](N)CO F30989 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 CC[C@H](N)CF AC5314 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.3 NC[C@H](N)CO D75091 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.3 NC[C@H](N)CO D75092 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.3 N[C@@H](CO)CF D75094 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.5 CC(=O)[C@H](C)N 91521 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.5 CC(C)[C@H](C)N AC5874 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [2,0,0,0,0,0|0,0,1]=3 79 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [2,0,0,0,0,0|0,0,0]=2 80 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.9 CC(F)(F)CC(=O)O H11192 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.9 CP(C)(=O)CC(=O)O D76431 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.13 CC[C@](C)(O)C(=O)O D78566 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.13 C[C@](N)(CS)C(=O)O 70246 [1,1,0,0,0,0|0,1,0]=3 95 B7R0.13 C[C@](O)(CBr)C(=O)O 90571 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.13 C[C@](O)(CO)C(=O)O A10743 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.13 [2H]C([2H])(C=O)C(C)C D98155 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.15 NC[C@@H](CO)C(=O)O C91703 [1,1,0,0,0,0|0,0,0]=2 100 B7R0.15 NC[C@@H](CO)C(=O)O FD10303 [1,1,0,0,0,0|0,0,0]=2 101 B7R0.15 O=C(O)C(CS)CS C13040 [1,1,0,0,0,0|1,1,0]=4 102 B9R0.11 CN(C)C[C@](C)(N)C(=O)O AT25501 [0,1,0,0,0,1|2,0,0]=4 103 B9R0.11 C[C@](N)(CC(=O)O)C(F)F AT24416 [0,1,0,0,0,1|2,0,0]=4 104 B9R0.11 [2H][C@](N)(CC(C)C)C(=O)O D99373 [0,1,0,0,0,1|1,0,0]=3 105 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81474 [0,1,0,0,0,1|1,0,0]=3 106 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26520 [0,1,0,0,0,1|1,1,0]=4 107 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26523 [0,1,0,0,0,1|1,1,0]=4 108 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F 90910 [0,1,0,0,0,1|2,0,0]=4 109 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O P14828 [0,1,0,0,0,1|1,0,1]=4 110 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25818 [0,2,0,0,0,0|0,0,0]=2 111 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25820 [0,2,0,0,0,0|0,0,0]=2 112 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69611 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.28 CC[C@H](O)C(F)(F)C(=O)O N13160 [0,2,0,0,0,0|1,0,0]=3 114 B9R0.72 CO[C@H](C(=O)O)C(C)(C)C D75518 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.72 CO[C@H](C(=O)O)C(C)(C)C D75519 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.80 CC(C)(C)C(C)(C)C(=O)O D76400 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.80 CC(C)(N)C(C)(C)C(=O)O E73422 [0,2,0,0,0,0|2,0,0]=4 118 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.16 CC1(O)CC(=O)C1 AT22537 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.16 CC1(O)CC(O)C1 AT22536 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.20 NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.4 NC1COCC1F E72312 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [1,0,0,1,0,0|0,1,1]=4 138 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [1,0,0,1,0,0|0,0,1]=3 139 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [1,0,0,1,0,0|0,1,1]=4 140 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.18 O=C(Cl)C1COC1 AT24224 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.18 O=[S@](O)C1CCC1 AT20162 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.19 CC(=O)C1(Br)CC1 52421 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.19 C[C@@]1(C(=O)O)CO1 C90594 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.19 NC(=O)C1(O)CC1 D74326 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.19 O=C(O)C1(I)CC1 E70160 [1,0,0,1,0,0|1,0,0]=3 149 B9R1.35 CC1CC(C(=O)O)CN1 AT24890 [0,0,0,1,0,1|2,0,0]=4 150 B9R1.35 CC1CCC(C(=O)O)C1 72652 [0,0,0,1,0,1|2,0,0]=4 151 B9R1.35 C[C@@H](F)[C@@H]1COC(=O)N1 AT25014 [0,0,0,1,0,1|2,0,0]=4 152 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [0,0,0,1,0,1|2,0,0]=4 153 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24897 [0,0,0,1,0,1|2,0,0]=4 154 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24899 [0,0,0,1,0,1|2,0,0]=4 155 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [0,0,0,1,0,1|2,0,0]=4 156 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [0,0,0,1,0,1|2,0,0]=4 157 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21805 [0,0,0,1,0,1|1,0,0]=3 158 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21807 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24892 [0,0,0,1,0,1|2,0,0]=4 160 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24894 [0,0,0,1,0,1|2,0,0]=4 161 B9R1.35 NC(=O)C1CC(O)CN1 D77113 [0,0,0,1,0,1|1,0,0]=3 162 B9R1.35 O=C(O)C1CCC(F)C1 73187 [0,0,0,1,0,1|2,0,0]=4 163 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22252 [0,0,0,1,0,1|2,0,0]=4 164 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22255 [0,0,0,1,0,1|2,0,0]=4 165 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22257 [0,0,0,1,0,1|2,0,0]=4 166 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22251 [0,0,0,1,0,1|2,0,0]=4 167 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22256 [0,0,0,1,0,1|2,0,0]=4 168 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22258 [0,0,0,1,0,1|2,0,0]=4 169 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [0,0,0,1,0,1|1,0,0]=3 170 B9R1.36 CC1(C)C[C@H](N)C(=O)N1 AT23524 [0,0,0,1,0,1|2,0,0]=4 171 B9R1.44 CC1(CC(=O)O)CC1F E72941 [0,0,0,1,0,1|2,0,0]=4 172 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O AT24178 [0,0,0,1,0,1|1,0,0]=3 173 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,0,0,1,0,1|2,0,0]=4 174 B9R1.112 C[C@H](SC1CC1)C(=O)O AC8726 [0,0,0,1,0,1|2,0,0]=4 175 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT24786 [0,0,0,1,0,1|2,0,0]=4 176 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53443 [0,0,0,1,0,1|1,0,0]=3 177 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53536 [0,0,0,1,0,1|1,0,0]=3 178 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53574 [0,0,0,1,0,1|1,0,0]=3 179 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53768 [0,0,0,1,0,1|1,0,0]=3 180 B9R1.152 CC1CC(N)(C(=O)O)C1 AT19782 [0,0,0,1,0,1|1,0,0]=3 181 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P13492 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 38151 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.152 NC1(C(=O)O)CC(=O)C1 AT23624 [0,0,0,1,0,1|0,0,2]=4 184 B9R1.152 NC1CC(O)(C(=O)O)C1 AT22154 [0,0,0,1,0,1|2,0,0]=4 185 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 E73116 [0,0,0,1,0,1|1,0,0]=3 186 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 P18144 [0,0,0,1,0,1|1,0,0]=3 187 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 P18145 [0,0,0,1,0,1|1,0,0]=3 188 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 P18178 [0,0,0,1,0,1|1,0,0]=3 189 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11293 [0,0,0,1,0,1|2,0,0]=4 190 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11295 [0,0,0,1,0,1|2,0,0]=4 191 B9R1.164 CC1(C)C[C@@H](C(=O)O)N1 AT23789 [0,0,0,1,0,1|1,0,0]=3 192 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 91897 [0,0,0,1,0,1|2,0,0]=4 193 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O AT12985 [0,0,0,1,0,1|1,0,0]=3 194 B9R1.169 CC1(C)C[C@@]1(O)C(=O)O AT22983 [0,0,0,1,0,1|2,0,0]=4 195 B9R1.169 N[C@@]1(C(=O)O)CC1(F)F P13957 [0,0,0,1,0,1|2,0,0]=4 196 B9R1.41 CC1CCNC1C(=O)O E72830 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.41 O=C(O)C1CCCC1O AT25921 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.41 O=C(O)C1NCCC1F AT19446 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [0,1,0,1,0,0|0,0,0]=2 208 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.96 O=C(O)C1CCC1CO D75979 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.110 CC(C(=O)O)C1CCO1 P20432 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.110 O=C(O)[C@@H](O)C1CCC1 D79655 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19387 [0,1,0,1,0,0|0,0,0]=2 218 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 D72131 [0,1,0,1,0,0|0,0,0]=2 219 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.52 CC1CN(C)[C@@H]1C(=O)O P15972 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.52 C[C@@H]1CN(C)[C@@H]1C(=O)O D96588 [0,1,0,1,0,0|1,0,0]=3 222 B9R1.166 CC1(C)CO[C@@H]1C(=O)O E72851 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.168 CC(C)C1(C(=O)O)CC1 AT12380 [0,1,0,1,0,0|2,0,0]=4 224 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|2,0,0]=4 225 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,0,0,0,0,1|1,0,0]=3 226 B7R0.6 O=C(O)CCB(O)O E72861 [1,0,0,0,0,1|2,0,0]=4 227 B7R0.6 O=C(O)CCC(F)F P19183 [1,0,0,0,0,1|2,0,0]=4 228 B7R0.6 O=C(O)CSC(F)F AC9774 [1,0,0,0,0,1|2,0,0]=4