0 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(C)CCB(O)O AM90168 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 NC(=O)\N=N\C(N)=O AM20080172 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 O=C(Cl)CCC(=O)Cl AMY4013 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 O=C(O)\C=C\C(=O)O AMY30339 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.6 O=C([O-])\C=C/C(=O)[O-] AMY22257 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.6 O=C([O-])\C=C/C(=O)[O-] AMY22508 [0,0,0,0,0,0|1,0,3]=4 16 B7R0.6 O=C([O-])\C=C\C(=O)[O-] AMY8976 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.4 C#CCOC(C)=O AM90264 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 C=CCCC(=O)Cl AMY808 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 C=CCCC(=O)O AMY12553 [1,0,0,0,0,0|0,0,1]=2 20 B6R0.4 C=CCCC(C)=O AM84335 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 C=CCOC(=O)Cl AMY3928 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 C=CCOC(C)=O AMY22115 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 C=CNCC(=O)O AMY22733 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CC(=O)NCCN AMY40665 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(C)CCCO AMY39142 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CCCCC(=O)[O-] AMY026 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.4 CCCOC(=O)Cl AMY3779 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCOCC(=O)O AMY4062 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CCSCC(=O)O AM20100532 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 CNCCC(=O)O AM84855 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 COCCC(=O)O AMY2689 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 NCCCC(=O)O AM20100372 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 NCCCC(N)=O AMY15220 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 O=C(O)CCCS AM20080221 [1,0,0,0,0,0|0,1,1]=3 36 B8R0.9 C=CC(=O)NCC(N)=O AMY39123 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.9 C=C[C@@H](N)CCC(=O)O AMY6474 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.9 CC(=O)OCC(=O)CCl AMY14363 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.9 CC=C(C)C=CC(=O)O AM806492 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,1,0,0,0,0|0,0,1]=2 44 B8R0.9 COC(=O)CCN(C)C AM807052 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.9 NCC(=O)CCC(=O)O AM20100341 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.9 NCC(=O)NCC(=O)O AMY25302 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.23 C=C(NC(C)=O)C(=O)O AMY22037 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81474 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81475 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81476 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.23 CC(=O)O[C@@H](C)C(=O)O AMY24695 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.23 CC(C)C[C@H](N)C(N)=O AM81895 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.23 CN(CC(=O)O)C(=N)N AMY22142 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.23 CN(CC(=O)O)C(=N)N AMY22149 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.23 CN(CC(=O)O)C(=N)N AMY22150 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.23 CN(CC(=O)O)C(=N)N AMY8957 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM20090442 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM20100419 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81553 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81554 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81555 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM20090057 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM20100510 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM81585 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.23 O=C(O)C[C@H](O)C(=O)O AM81418 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.23 O=C(O)C[C@H](O)C(=O)O AMY40197 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] AMY22481 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.29 CC(C)(C)NCC(=O)O AM20090715 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.29 CC(C)(C)OCC(=O)O AMY11484 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.29 CS(=O)(=O)CCC(=O)O AM804191 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.29 NS(=O)(=O)CCC(=O)O AM20080397 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl AMY19885 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.29 O=C(O)CCC(F)(F)F AMY6768 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,0,0,1,0,0|1,0,0]=2 94 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.23 C=C1CC(C(=O)O)C1 AM20070595 [0,0,0,1,0,0|1,0,0]=2 98 B8R1.23 CC(=O)N1CC(O)C1 AMY4420 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.23 CN1CC(C(=O)O)C1 AM20110258 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.23 NC1CC(C(=O)O)C1 AM20070624 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.23 NC1CC(C(=O)O)C1 AM85612 [0,0,0,1,0,0|1,0,1]=3 105 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AM20070631 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 AMY31853 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.23 O=C(O)C1CC(F)C1 AM85510 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [0,0,0,1,0,0|0,0,2]=3 109 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [0,0,0,1,0,0|0,0,2]=3 110 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [0,0,0,1,0,0|0,0,2]=3 111 B8R1.23 O=C1CC(C(=O)O)C1 AM20070608 [0,0,0,1,0,0|0,0,0]=1 112 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM20080461 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM80921 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.77 O=C(O)C1CC1(F)Cl AMY5851 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.77 O=C(O)[C@@H]1CC1(F)F AMY35689 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.77 O=C(O)[C@H]1CC1(F)F AMY3255 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.77 O=C(O)[C@H]1CC1(F)F AMY34325 [0,0,0,1,0,0|2,0,1]=4 123 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,1,0|2,0,1]=4 124 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,1,0|2,0,1]=4 125 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,0,0,1,0|2,0,1]=4 126 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,0,0,1,0|1,0,2]=4 127 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,0,0,1,0|1,0,2]=4 128 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,0,0,1,0|1,0,2]=4 129 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,1,0|1,0,1]=3 130 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,1,0|0,0,3]=4 131 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,1,0|0,0,3]=4 132 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,1,0|2,0,0]=3 133 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,1,0|2,0,0]=3 134 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,1,0|2,0,1]=4 135 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,1,0|2,0,1]=4 136 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,1,0|0,0,2]=3 137 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,0,0,0,1,0|1,0,1]=3 138 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,0,0,0,1,0|1,0,1]=3 139 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,0,0,0,1,0|1,0,1]=3 140 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,0,0,0,1,0|1,0,1]=3 141 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,1,0|0,0,2]=3 142 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,1,0|0,0,2]=3 143 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,1,0|0,0,3]=4 144 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,1,0|0,0,3]=4 145 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,1,0|0,0,3]=4 146 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,1,0|2,0,1]=4 147 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,0,0,0,1,0|2,0,1]=4 148 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,0,0,0,1,0|2,0,0]=3 149 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,0,0,0,1,0|2,0,1]=4 150 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,0,0,0,1,0|1,0,0]=2 151 B6R0.2 O=C(O)CC(F)F AMY6157 [0,0,0,0,1,0|2,0,1]=4 152 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,0,0,0,0,1|2,0,0]=3 153 B8R0.28 C=C(C)CNCC(=C)C AMY13330 [0,0,0,0,0,1|3,0,0]=4 154 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [0,0,0,0,0,1|0,0,1]=2 155 B8R0.28 CC(=O)C\C=C\C(=O)O AMY24785 [0,0,0,0,0,1|0,0,1]=2 156 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,0,0,0,0,1|0,0,0]=1 157 B8R0.28 CC(C)COCC(=O)O AM85004 [0,0,0,0,0,1|1,0,1]=3 158 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,0,0,0,0,1|2,0,0]=3 159 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,0,0,0,0,1|2,0,1]=4 160 B8R0.28 N=C(N)NCCC(=O)O AMY22177 [0,0,0,0,0,1|2,0,0]=3 161 B8R0.28 NC(=O)CCCC(N)=O AMY16238 [0,0,0,0,0,1|2,0,0]=3 162 B8R0.28 O=C(O)COCC(=O)O AMY41875 [0,0,0,0,0,1|1,0,0]=2 163 B5R0.1 C#CCC(=O)O AMY19285 [2,0,0,0,0,0|0,0,2]=4 164 B5R0.1 C=C(C)CCBr AMY7022 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 C=CCC(C)=O AMY31929 [2,0,0,0,0,0|0,0,1]=3 166 B5R0.1 CC#CC(=O)O AM90222 [2,0,0,0,0,0|0,0,2]=4 167 B5R0.1 CC(=O)CC#N AM86800 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.1 CC(=O)CC#N AMY7035 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.1 CC(=O)CCO AMY31061 [2,0,0,0,0,0|0,0,0]=2 170 B5R0.1 CC(=O)OCCl AMY28690 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.1 CC(=O)\C=N\O AM806560 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 CC(C)=CC=O AMY42093 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 CCCB(O)O AMY987 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 CCCC(=N)N AM802888 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.1 CCCC(=N)N AMY2389 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.1 CCCC(C)=O AMY25524 [2,0,0,0,0,0|0,0,1]=3 177 B5R0.1 CCOC(N)=O AM20100253 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 CNCC(=O)O AM20080021 [2,0,0,0,0,0|1,0,0]=3 179 B5R0.1 CNCC(C)=O AM806508 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.1 CNCC(N)=O AM82642 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 COCC(=O)Cl AMY40728 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 COCC(=O)O AMY4059 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 CSCC(N)=O AMY10906 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.1 C[C@@H](O)CCO AMY25740 [2,0,0,0,0,0|0,0,2]=4 185 B5R0.1 C[C@H](N)CCO AM84886 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.1 C[C@H](N)CCO AM9719 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.1 C[C@H](N)CCO AMY409 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 C\C(Br)=C/CO AMY11209 [2,0,0,0,0,0|1,0,1]=4 189 B5R0.1 C\C=C\C(=O)O AMY11255 [2,0,0,0,0,0|0,0,1]=3 190 B5R0.1 C\C=C\C(C)=O AMY31928 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.1 NCCC(=O)O AM20080020 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.1 NCCC(=O)O AMY22128 [2,0,0,0,0,0|1,0,0]=3 193 B5R0.1 NCCC(N)=O AM20100576 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 NCCC(N)=O AMY6958 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 NNCC(=O)O AMY202100023 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 NOCC(=O)O AMY19484 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 O=C(Cl)CCBr AM90184 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 O=C(O)CCBr AM20100434 [2,0,0,0,0,0|1,0,0]=3 199 B5R0.1 O=C(O)CCF AM803932 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.1 O=C(O)CCO AM85796 [2,0,0,0,0,0|0,0,1]=3 201 B5R0.1 O=C(O)CCS AMY27767 [2,0,0,0,0,0|0,1,0]=3 202 B5R0.1 O=C(O)\C=C/I AMY22685 [2,0,0,0,0,0|1,0,1]=4 203 B5R0.1 O=C(O)\C=C\I AM806037 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 C=CCCC=C AMY18716 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.2 C=CCCC=C AMY19739 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|0,0,2]=4 207 B5R0.2 C=CCNC=O AMY24779 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.2 N#CCCC=O AMY9205 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.2 O=CCCC=O AMY18777 [2,0,0,0,0,0|0,0,0]=2 211 B7R0.2 CCC(=O)CC(=O)O AM85448 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [1,1,0,0,0,0|0,0,1]=3 213 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.3 CCCCC(=O)NN AMY3964 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.3 CNCCC(=O)OC AMY4326 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.3 COC(=O)CCC=O AM20080287 [1,1,0,0,0,0|0,0,0]=2 219 B7R0.3 COC(=O)CCCN AM803145 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.3 COC(=O)CCCS AMY40461 [1,1,0,0,0,0|0,1,1]=4 221 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.4 C#CCCCC(=O)O AM81010 [1,1,0,0,0,0|0,0,2]=4 223 B7R0.4 C=CCCCC(=O)O AMY759 [1,1,0,0,0,0|0,0,1]=3 224 B7R0.4 C=CCNCC(=O)O AMY22559 [1,1,0,0,0,0|0,0,1]=3 225 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.4 CC(=O)NCCCN AMY36360 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|0,0,1]=3 229 B7R0.4 CNCCCC(=O)O AMY5046 [1,1,0,0,0,0|0,0,1]=3 230 B7R0.4 CNCCOC(C)=O AMY15057 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.4 N#CCCCC(=O)O AMY16028 [1,1,0,0,0,0|0,0,2]=4 232 B7R0.4 NCCCCC(=O)O AM82459 [1,1,0,0,0,0|0,0,1]=3 233 B7R0.4 NCCCCC(=O)O AMY39227 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.4 O=C(O)CCCCBr AM85660 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.4 O=C(O)CCCCCl AMY40897 [1,1,0,0,0,0|0,0,1]=3 238 B7R0.4 O=C(O)COCCCl AMY28725 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.5 C#CC[C@H](N)C(=O)O AM82632 [1,1,0,0,0,0|0,0,2]=4 241 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [1,1,0,0,0,0|0,0,1]=3 242 B7R0.5 C=CC[C@H](N)C(=O)O AM82408 [1,1,0,0,0,0|0,0,1]=3 243 B7R0.5 C=CC[C@H](N)C(=O)O AM84669 [1,1,0,0,0,0|0,0,1]=3 244 B7R0.5 CCCC(=O)C(=O)O AMY6081 [1,1,0,0,0,0|0,0,2]=4 245 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [1,1,0,0,0,0|0,0,1]=3 246 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [1,1,0,0,0,0|0,0,1]=3 247 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [1,1,0,0,0,0|0,0,1]=3 248 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.5 COC[C@H](N)C(=O)O AM808146 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.5 COC[C@H](N)C(=O)O AM808152 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.5 COC[C@H](N)C(=O)O AM808173 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [1,1,0,0,0,0|1,0,1]=4 263 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [1,1,0,0,0,0|0,0,2]=4 265 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [1,1,0,0,0,0|0,0,2]=4 266 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [1,1,0,0,0,0|0,1,1]=4 267 B7R0.8 CS(=O)(=O)CCCO AMY42220 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,1,0,0,1,0|1,0,1]=4 269 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,1,0,0,1,0|1,0,1]=4 270 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,1,0,0,1,0|1,0,1]=4 271 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,1,0,0,1,0|1,0,1]=4 272 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,1,0,0,1,0|1,0,0]=3 273 B7R0.9 O=C(O)CP(=O)(O)O AMY39197 [0,1,0,0,1,0|2,0,0]=4 274 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,1,0,0,1,0|1,0,0]=3 275 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,1,0,0,1,0|1,0,0]=3 276 B7R0.16 CC(=O)N(C)C(C)=O AM20080061 [0,1,0,0,1,0|2,0,0]=4 277 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,1,0,0,1,0|1,0,1]=4 278 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,1,0,0,1,0|1,0,1]=4 279 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,1,0,0,1,0|1,0,1]=4 280 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,1,0,0,1,0|1,0,1]=4 281 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,1,0,0,1,0|1,0,1]=4 282 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,1,0,0,1,0|1,0,1]=4 283 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,1,0,0,1,0|0,0,2]=4 284 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,1,0,0,1,0|0,0,2]=4 285 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,1,0,0,1,0|0,0,2]=4 286 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,1,0,0,1,0|0,0,2]=4 287 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,1,0,0,1,0|0,0,2]=4 288 B7R0.16 NC(=O)C(N)C(N)=O AM20100518 [0,1,0,0,1,0|2,0,0]=4 289 B7R0.16 NC(C(=O)O)C(=O)O AMY22121 [0,1,0,0,1,0|1,0,0]=3 290 B7R0.16 O=C(O)C(O)C(=O)O AMY6179 [0,1,0,0,1,0|1,0,0]=3 291 B9R0.1 CN(CCCC(=O)O)N=O AMY30252 [0,1,0,0,0,1|1,0,0]=3 292 B9R0.1 COC(=O)CCCC(=O)O AM84460 [0,1,0,0,0,1|0,0,0]=2 293 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM20100425 [0,1,0,0,0,1|1,0,0]=3 294 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM81758 [0,1,0,0,0,1|1,0,0]=3 295 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM81759 [0,1,0,0,0,1|1,0,0]=3 296 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AMY22184 [0,1,0,0,0,1|1,0,0]=3 297 B9R0.7 NC(=O)CC[C@H](N)C(N)=O AMY22734 [0,1,0,0,0,1|2,0,0]=4 298 B9R0.7 NC(=O)NC[C@H](N)C(=O)O AMY22571 [0,1,0,0,0,1|1,0,0]=3 299 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AM20100640 [0,1,0,0,0,1|1,0,0]=3 300 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AM81690 [0,1,0,0,0,1|1,0,0]=3 301 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25301 [0,1,0,0,0,1|1,0,0]=3 302 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25304 [0,1,0,0,0,1|1,0,0]=3 303 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25313 [0,1,0,0,0,1|1,0,0]=3 304 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] AMY22187 [0,1,0,0,0,1|1,0,0]=3 305 B9R0.7 O=C(O)CCC(=O)C(=O)O AM20090486 [0,1,0,0,0,1|1,0,0]=3 306 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] AMY7479 [0,1,0,0,0,1|1,0,1]=4 307 B9R0.53 CC(C)C[C@H](N)CC(=O)O AM20090584 [0,1,0,0,0,1|1,0,1]=4 308 B9R0.53 CC(C)C[C@H](N)CC(=O)O AMY14352 [0,1,0,0,0,1|1,0,1]=4 309 B9R0.53 CC(CC(=O)O)CC(=O)O AMY4060 [0,1,0,0,0,1|1,0,0]=3 310 B9R0.53 CN(CC(=O)O)CC(=O)O AMY25152 [0,1,0,0,0,1|1,0,0]=3 311 B9R0.53 O=C(O)CC(O)CC(=O)O AMY4070 [0,1,0,0,0,1|1,0,0]=3 312 B9R0.56 CC(=O)SCCS(=O)(=O)O AMY10923 [0,1,0,0,0,1|1,0,0]=3 313 B9R0.56 CC(C)(C)CNCC(=O)O AMY28474 [0,1,0,0,0,1|1,0,1]=4 314 B9R0.56 NS(=O)(=O)CCCC(=O)O AM20090046 [0,1,0,0,0,1|2,0,0]=4 315 B9R0.56 O=C(O)CNCP(=O)(O)O AMY22521 [0,1,0,0,0,1|2,0,0]=4 316 B9R0.21 COC(=O)CCS(N)(=O)=O AMY32109 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.23 C=C(NC(C)=O)C(=O)OC AM803766 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.23 COC(=O)C(=O)CC(C)=O AMY3225 [0,2,0,0,0,0|0,0,1]=3 319 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AMY31364 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM20100563 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM20100730 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM81877 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.23 COC(=O)[C@@H](N)CC(N)=O AM81563 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.24 CCC(=O)CCC(=O)CC AMY42063 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.24 CCC(=O)CCC(=O)OC AMY30255 [0,2,0,0,0,0|0,0,0]=2 326 B9R0.24 COC(=O)C#CC(=O)OC AM87182 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.24 COC(=O)\C=C/C(=O)OC AMY4058 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.24 NNC(=O)CCC(=O)NN AMY3980 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.42 COC(=O)CC(=O)C(=O)O AM806672 [0,2,0,0,0,0|0,0,1]=3 330 B9R0.42 COC(=O)C[C@H](N)C(=O)O AM20090012 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.42 COC(=O)C[C@H](N)C(=O)O AM20090073 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O AMY19326 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.43 CCN(CC)CCC(=O)O AMY16098 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.48 CCOC(=O)CC[N+](=O)[O-] AM20090569 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.48 CCOC(=O)CNC(C)=O AM20090112 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.10 CN(CC(=O)O)S(C)(=O)=O AMY20607 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.11 CC(C)(CC(=O)O)C(=O)O AM20100456 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O AM10149 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.11 CC(C)C[C@](C)(O)C(=O)O AM806593 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O AM806412 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O AM20100502 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM81641 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM9319 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AM9276 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AM9403 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O AMY25962 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O AM84304 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.79 NC(C(=O)O)C(N)C(=O)O AM82548 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O AM82549 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O AM82550 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.79 O=C(O)C(O)C(O)C(=O)O AM20110247 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.79 O=C(O)C(O)C(O)C(=O)O AMY3272 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.79 O=C(O)C(O)C(O)C(=O)O AMY39488 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O AM20080237 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O AM20120597 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O AM20120598 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O AMY19205 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O AMY33332 [0,2,0,0,0,0|1,0,0]=3 359 B7R1.2 CC1=NSC(=O)O1 AMY14827 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,0,0,1,0,0|1,0,1]=4 363 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,0,0,1,0,0|1,0,1]=4 364 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.2 O=C1CCC(=O)C1 AM20100026 [1,0,0,1,0,0|0,0,0]=2 367 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,0,0,1,0,0|0,0,1]=3 368 B7R1.2 O=C1CNC(=O)C1 AM20120511 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.2 O=C1CSC(=O)N1 AM20090236 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.3 C=C1CCCOC1 AMY6008 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.3 CC1=COCCC1 AMY6007 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|0,0,1]=3 380 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|0,1,1]=4 381 B7R1.3 O=C1CCNCC1 AM100807 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.3 O=C1CCNCC1 AM20100060 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.3 O=C1CCNCC1 AM803879 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.3 O=C1COCCN1 AM20080044 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.10 C=C1CC(C=O)C1 AM84292 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.10 C=C1CC(CO)C1 AM84289 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.10 N#CC1CC(=O)C1 AM20070603 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.10 O=C1CC(CBr)C1 AM85778 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.10 O=C1CC(CF)C1 AM84266 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.10 O=C1CC(CO)C1 AM20070600 [1,0,0,1,0,0|0,0,1]=3 395 B7R1.10 O=CC1CC(F)C1 AM85365 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.12 CC1CC1C(=O)O AM803649 [1,0,0,1,0,0|0,0,1]=3 397 B7R1.12 CC1CC1C(N)=O AMY5644 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [1,0,0,1,0,0|0,0,1]=3 399 B7R1.12 O=C(O)C1CC1F AMY5778 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.18 NC(=O)C1CCC1 AMY32785 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.18 NC(=O)C1CNC1 AM20100716 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.18 NC(=O)C1CNC1 AMY34027 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.18 O=C(O)C1CCC1 AM62800 [1,0,0,1,0,0|0,0,1]=3 409 B7R1.18 O=C(O)C1CNC1 AM20090582 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.18 O=C(O)C1CNC1 AMY4825 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.18 O=C(O)C1COC1 AM84264 [1,0,0,1,0,0|1,0,0]=3 412 B7R1.18 O=C(O)C1CSC1 AM20100754 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [1,0,0,1,0,0|0,0,2]=4 417 B7R1.20 CC(=O)CC1CC1 AM20100099 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.20 O=C(O)CC1CC1 AM20100289 [1,0,0,1,0,0|0,0,1]=3 419 B7R1.16 O=C1CS(=O)(=O)C1 AMY32266 [0,0,0,1,1,0|1,0,1]=4 420 B9R1.35 CC(=O)N1CCC(=O)C1 AM100682 [0,0,0,1,0,1|1,0,0]=3 421 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,0,0,1,0,1|1,0,1]=4 422 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,0,0,1,0,1|1,0,1]=4 423 B9R1.35 CC1CNC(C(=O)O)C1 AMY27459 [0,0,0,1,0,1|1,0,1]=4 424 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20100095 [0,0,0,1,0,1|2,0,0]=4 425 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20120524 [0,0,0,1,0,1|2,0,0]=4 426 B9R1.35 NC1CCC(C(=O)O)C1 AMY20253 [0,0,0,1,0,1|1,0,1]=4 427 B9R1.35 NC1CCC(C(=O)O)C1 AMY34078 [0,0,0,1,0,1|1,0,1]=4 428 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY21334 [0,0,0,1,0,1|1,0,1]=4 429 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY35677 [0,0,0,1,0,1|1,0,1]=4 430 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21402 [0,0,0,1,0,1|1,0,1]=4 431 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21662 [0,0,0,1,0,1|1,0,1]=4 432 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 AMY21986 [0,0,0,1,0,1|1,0,1]=4 433 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21371 [0,0,0,1,0,1|1,0,1]=4 434 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21403 [0,0,0,1,0,1|1,0,1]=4 435 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 AMY21335 [0,0,0,1,0,1|1,0,1]=4 436 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY13640 [0,0,0,1,0,1|1,0,1]=4 437 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY34398 [0,0,0,1,0,1|1,0,1]=4 438 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM20080324 [0,0,0,1,0,1|0,0,2]=4 439 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM808153 [0,0,0,1,0,1|0,0,2]=4 440 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM81829 [0,0,0,1,0,1|0,0,2]=4 441 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AMY202003265 [0,0,0,1,0,1|0,0,2]=4 442 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY13595 [0,0,0,1,0,1|1,0,1]=4 443 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY34399 [0,0,0,1,0,1|1,0,1]=4 444 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20090318 [0,0,0,1,0,1|0,0,2]=4 445 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100144 [0,0,0,1,0,1|0,0,2]=4 446 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100769 [0,0,0,1,0,1|0,0,2]=4 447 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM808165 [0,0,0,1,0,1|0,0,2]=4 448 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY13641 [0,0,0,1,0,1|1,0,1]=4 449 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY202003252 [0,0,0,1,0,1|1,0,1]=4 450 B9R1.35 O=C1C=C(C(=O)O)CC1 AMY36569 [0,0,0,1,0,1|0,0,1]=3 451 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 AMY34326 [0,0,0,1,0,1|0,0,0]=2 452 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM20080373 [0,0,0,1,0,1|1,0,0]=3 453 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM20100078 [0,0,0,1,0,1|1,0,0]=3 454 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM83732 [0,0,0,1,0,1|1,0,0]=3 455 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AM20100317 [0,0,0,1,0,1|1,0,0]=3 456 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AM84751 [0,0,0,1,0,1|1,0,0]=3 457 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 AMY33941 [0,0,0,1,0,1|1,0,0]=3 458 B9R1.35 O=C1CC[C@H](C(=O)O)C1 AM20120395 [0,0,0,1,0,1|0,0,0]=2 459 B9R1.35 O=C1CC[C@H](C(=O)O)C1 AMY34343 [0,0,0,1,0,1|0,0,0]=2 460 B9R1.35 O=C1CN[C@H](C(=O)O)C1 AMY34990 [0,0,0,1,0,1|0,0,0]=2 461 B9R1.35 O=C1CN[C@H](C(=O)O)C1 AMY36594 [0,0,0,1,0,1|0,0,0]=2 462 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 AMY35785 [0,0,0,1,0,1|0,0,0]=2 463 B9R1.53 CC(=O)N[C@@H]1CC(=O)N1 AM9646 [0,0,0,1,0,1|1,0,0]=3 464 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 AM20090365 [0,0,0,1,0,1|1,0,0]=3 465 B9R1.53 NC1CC(CC(=O)O)C1 AM85571 [0,0,0,1,0,1|1,0,1]=4 466 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 AMY34050 [0,0,0,1,0,1|1,0,1]=4 467 B9R1.53 O=C(O)CC1CC(=O)C1 AMY34663 [0,0,0,1,0,1|0,0,0]=2 468 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,0,0,1,0,1|1,0,1]=4 469 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O AM807085 [0,0,0,1,0,1|1,0,0]=3 470 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O AMY12058 [0,0,0,1,0,1|1,0,0]=3 471 B9R1.1 COC1CCC(=O)CC1 AMY3589 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.1 O=CC1CCC(=O)CC1 AMY10974 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.10 CC1(O)CCC(=O)CC1 AMY202100039 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.10 O=C1CCS(=O)(=O)CC1 AM20090038 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O AMY503 [0,1,0,1,0,0|0,0,2]=4 477 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.69 CN1CCC(=O)CC1=O AMY20080 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.82 C=C1CC(C(=O)OC)C1 AM85374 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.82 COC(=O)C1CC(=O)C1 AM20070620 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.82 COC(=O)C1CC(Br)C1 AM85789 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.82 COC(=O)C1CC(Cl)C1 AMY34166 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.82 COC(=O)C1CC(F)C1 AM85364 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.82 COC(=O)C1CC(N)C1 AM85499 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.82 COC(=O)C1CC(N)C1 AM85562 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.82 COC(=O)C1CC(O)C1 AM20070616 [0,1,0,1,0,0|0,0,2]=4 487 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 AMY14943 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 AM10832 [0,1,0,1,0,0|0,0,2]=4 489 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 AMY34213 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 AMY14941 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.95 COC1CC(C(=O)O)C1 AM85782 [0,1,0,1,0,0|0,0,2]=4 492 B9R1.95 O=C(O)C1CC(CBr)C1 AM20070562 [0,1,0,1,0,0|1,0,1]=4 493 B9R1.95 O=C(O)C1CC(CO)C1 AM85445 [0,1,0,1,0,0|0,0,2]=4 494 B9R1.137 N[C@@H](CC(=O)O)C1CC1 AMY38208 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.152 C=C1CC(C)(C(=O)O)C1 AMY34626 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.152 NC1(C(=O)O)CC(F)C1 AMY34580 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.164 CC1(C)CC(C(=O)O)C1 AM85738 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 AMY34067 [0,1,0,1,0,0|0,0,2]=4 499 B9R1.164 O=C(O)C1CC(F)(F)C1 AM20070563 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.164 O=C(O)C1CS(=O)(=O)C1 AMY5750 [0,1,0,1,0,0|1,0,0]=3 501 B9R2.145 O=C(O)C12CC(C1)C2 AMY32624 [0,0,0,2,0,0|1,0,1]=4 502 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,0,0,0,2,0|2,0,0]=4 503 B5R0.5 C=C(C)C(N)=O AMY13351 [0,0,0,0,2,0|2,0,0]=4 504 B5R0.5 C=C(F)C(=O)O AM84938 [0,0,0,0,2,0|1,0,1]=4 505 B5R0.5 CC(=O)C(=O)O AMY6082 [0,0,0,0,2,0|0,0,0]=2 506 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,0,0,0,2,0|0,0,1]=3 507 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,0,0,0,2,0|0,0,1]=3 508 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,0,0,0,2,0|0,0,1]=3 509 B5R0.5 CC(=O)C(O)O AMY25827 [0,0,0,0,2,0|0,0,2]=4 510 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,0,0,0,2,0|1,0,1]=4 511 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,0,0,0,2,0|1,0,1]=4 512 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,0,0,0,2,0|1,0,1]=4 513 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,0,0,0,2,0|1,0,1]=4 514 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,0,0,0,2,0|1,0,1]=4 515 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,0,0,0,2,0|1,0,1]=4 516 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,0,0,0,2,0|1,0,1]=4 517 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,0,0,0,2,0|1,0,1]=4 518 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,0,0,0,2,0|1,0,1]=4 519 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,0,0,0,2,0|1,0,1]=4 520 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,0,0,0,2,0|0,0,2]=4 521 B5R0.5 NC(=O)C(N)=O AMY23583 [0,0,0,0,2,0|2,0,0]=4 522 B5R0.5 O=C(O)C(=O)O AMY514 [0,0,0,0,2,0|1,0,0]=3 523 B5R0.5 O=C(O)C(=O)O AMY6125 [0,0,0,0,2,0|1,0,0]=3 524 B9R0.55 CC(C)CCOCC(=O)O AMY15507 [0,0,0,0,0,2|1,0,1]=4 525 B9R0.55 CN(C)CCCCC(=O)O AMY20362 [0,0,0,0,0,2|2,0,0]=4 526 B9R0.55 CN(C)CCCCC(=O)O AMY20363 [0,0,0,0,0,2|2,0,0]=4 527 B9R0.55 O=C([O-])CCCCC(=O)[O-] AMY38501 [0,0,0,0,0,2|1,0,1]=4