0 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 NC(=O)CCC(=O)O A63078 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,0|0,0,4]=4 8 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,1,0,0,0,0|0,0,1]=2 41 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.29 NS(=O)(=O)CCC(=O)O A9689 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.29 O=C(O)CCC(F)(F)F T23562 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,0,0|1,0,1]=3 65 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,0,0|1,0,1]=3 70 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,0,0,1,0,0|2,0,1]=4 78 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,1,0|2,0,1]=4 79 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,1,0|2,0,1]=4 80 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,1,0|1,0,2]=4 81 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,1,0|2,0,1]=4 82 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,1,0|1,0,1]=3 83 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,1,0|1,0,2]=4 84 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,1,0|3,0,0]=4 85 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,1|3,0,0]=4 86 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,1|1,0,0]=2 87 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,1|1,0,0]=2 88 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,1|3,0,0]=4 89 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,1|3,0,0]=4 90 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 91 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 O=[N+]([O-])CCO N39779 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|0,0,1]=3 106 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 C#CCCCC(=O)O H43301 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,1]=3 115 B7R0.4 N#CCCCC(=O)O C41166 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,1]=3 119 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|0,0,1]=3 120 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|0,0,2]=4 122 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|0,0,1]=3 145 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|0,1,1]=4 146 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|0,1,1]=4 148 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [0,1,0,0,1,0|1,0,1]=4 149 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,1,0|1,0,1]=4 150 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,1,0|1,0,1]=4 151 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,1,0|1,0,1]=4 152 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,1,0,0,1,0|2,0,0]=4 153 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,1|2,0,0]=4 154 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,1,0,0,0,1|1,0,0]=3 155 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,0,0,0,1|0,0,0]=2 156 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,1|1,0,0]=3 157 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,0,0,0,1|1,0,0]=3 158 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,0,0,0,1|0,0,0]=2 159 B9R0.7 N=C(N)NC[C@H](N)C(=O)O A40356 [0,1,0,0,0,1|2,0,0]=4 160 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,1,0,0,0,1|0,0,0]=2 161 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] H41308 [0,1,0,0,0,1|0,0,2]=4 162 B9R0.53 CN(CC(=O)O)CC(=O)O M67937 [0,1,0,0,0,1|0,0,0]=2 163 B9R0.21 COC(=O)CCS(=O)(=O)Cl M40237 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,2,0,0,0,0|0,0,0]=2 166 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,2,0,0,0,0|0,0,0]=2 168 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,2,0,0,0,0|0,0,0]=2 169 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,2,0,0,0,0|0,0,0]=2 170 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,2,0,0,0,0|0,0,0]=2 174 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,2,0,0,0,0|2,0,0]=4 175 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O C54074 [0,2,0,0,0,0|0,0,0]=2 176 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O D40113 [0,2,0,0,0,0|0,0,0]=2 177 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O C54073 [0,2,0,0,0,0|0,0,0]=2 178 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O E39784 [0,2,0,0,0,0|2,0,0]=4 179 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.2 O=C1CNC(=O)N1 K68378 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.2 O=C1CNC(=O)O1 X68377 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.2 O=C1CSC(=O)N1 T69276 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|0,0,1]=3 203 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|0,0,1]=3 204 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|0,0,1]=3 207 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,1]=4 208 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,0,0,1,0,1|2,0,0]=4 209 B9R1.35 NC1=N[C@H](C(=O)O)CS1 A61601 [0,0,0,1,0,1|2,0,0]=4 210 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,1|1,0,1]=4 211 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,1|1,0,1]=4 212 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,1|1,0,1]=4 213 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,1|1,0,1]=4 214 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,1|1,0,1]=4 215 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,1|1,0,1]=4 216 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,1|1,0,1]=4 217 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,1|1,0,0]=3 218 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,1,0,1|0,0,0]=2 219 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,1,0,1|0,0,0]=2 220 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,1,0,1|0,1,0]=3 221 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,1|1,0,0]=3 222 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,1|1,0,0]=3 223 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,1,0,1|0,0,0]=2 224 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,1|1,0,0]=3 225 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,1,0,1|1,0,0]=3 226 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,0,0,1,0,1|2,0,0]=4 227 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,0,1,0,1|2,0,0]=4 228 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,0,0,1,0,1|1,0,0]=3 229 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,0,0,1,0,1|0,0,0]=2 230 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,0,0,1,0,1|0,0,0]=2 231 B9R1.55 CN1C[C@@H](C(=O)O)C1=O M60220 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.164 O=C(O)C1CS(=O)(=O)C1 T37573 [0,1,0,1,0,0|1,0,1]=4 249 B5R0.5 C=C(F)C(=O)O F39831 [0,0,0,0,2,0|2,0,0]=4 250 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,2,0|1,0,1]=4 251 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,2,0|0,0,0]=2 252 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,2,0|0,0,0]=2 253 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,0,0,0,0,2|1,0,0]=3 254 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,0,0,0,2|2,0,0]=4