0 B9R1.35 C1CC(=O)CC1C(=O)O H60414 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.35 C1CC(=O)NC1C(=O)O L09424 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O L11711 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 C1CC(=O)N[C@H]1C(=O)O B24678 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N H52122 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N H52040 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)N)F H27235 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O H27194 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O H27421 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O H52013 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O A11851 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O H27633 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 C1[C@H](NCC1=O)C(=O)O H57691 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.7 B(C1CCCC1)(O)O H27081 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 C1C=CCC1C(=O)O B25456 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.7 C1CC(NC1)C(=O)O A13137 [1,0,0,0,0,0|0,0,0]=1 16 B8R1.7 C1CC(OC1)C(=O)O B22927 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 C1CCC(C1)C(=O)O A12375 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.7 C1CCC(C1)[N+](=O)[O-] L08029 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 C1CCN(C1)C(=O)Cl L13396 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 C1CNCC1C(=O)O H57365 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 C1CNC[C@@H]1C(=O)O H57356 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 C1CNC[C@H]1C(=O)O H57895 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 C1COC[C@H]1C(=O)O H66392 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 C1CSC(N1)C(=O)O A11564 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 C1CS[C@H](N1)C(=O)O A15033 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.7 C1C[C@@H](NC1)C(=O)N H30901 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.7 C1C[C@@H](NC1)C(=O)N H65690 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [1,0,0,0,0,0|0,0,0]=1 31 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.7 C1C[C@H](NC1)C(=O)N L20417 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [1,0,0,0,0,0|0,0,0]=1 34 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 CC(C1CCCC1)O L03446 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O H62384 [0,1,0,0,0,0|0,0,0]=1 38 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O H51726 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.359 C1[C@H](NCC1(F)F)C(=O)N H27770 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.8 C(CC(C(=O)O)N)CN A18173 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.8 C(C[C@@H](C(=O)O)N)CN A12111 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.8 C(C[C@H](C(=O)O)N)CN L00793 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.8 CCCCC(C(=O)O)Br B24228 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.8 CCCCC(C(=O)O)N A10791 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.8 CCCCC(C)C(=O)Cl H32829 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.8 CCCCC(C)C(=O)O A11290 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [0,0,1,0,0,0|3,0,0]=4 48 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.9 C(C(=O)NCC(=O)O)N A10523 [0,0,1,0,0,0|1,0,2]=4 50 B8R0.9 C(CC(=O)O)C(=O)CN A16942 [0,0,1,0,0,0|0,0,2]=3 51 B8R0.9 CC(=O)OCC(CO)O A14025 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.23 C(C(C(=O)O)Br)C(=O)O B22829 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.23 C(C(C(=O)O)N)C(=O)N B20273 [0,0,1,0,0,0|1,0,2]=4 54 B8R0.23 C(C(C(=O)O)N)C(=O)O A13646 [0,0,1,0,0,0|1,0,1]=3 55 B8R0.23 C(C(C(=O)O)O)C(=O)O A17874 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.23 C(C(C(=O)O)S)C(=O)O B23301 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N A15012 [0,0,1,0,0,0|1,0,2]=4 58 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N B21473 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 43317 [0,0,1,0,0,0|1,0,1]=3 60 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O A13520 [0,0,1,0,0,0|1,0,1]=3 61 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O A13702 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O B22321 [0,0,1,0,0,0|1,0,2]=4 63 B8R0.23 C([C@H](C(=O)O)N)C(=O)N B24556 [0,0,1,0,0,0|1,0,2]=4 64 B8R0.23 C([C@H](C(=O)O)N)C(=O)O B21184 [0,0,1,0,0,0|1,0,1]=3 65 B8R0.23 C([C@H](C(=O)O)O)C(=O)O A11688 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.23 CC(C)CC(=O)C(=O)O H60076 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.23 CC(C)CC(C(=O)O)N A10590 [0,0,1,0,0,0|1,0,0]=2 68 B8R0.23 CC(C)CC(C(=O)O)O H60459 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 CC(C)C[C@@H](C(=O)N)N B22914 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.23 CC(C)C[C@@H](C(=O)O)N A12311 [0,0,1,0,0,0|1,0,0]=2 71 B8R0.23 CC(C)C[C@H](C(=O)O)N A14842 [0,0,1,0,0,0|1,0,0]=2 72 B8R0.23 CC(CC(=O)O)C(=O)O H60967 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.28 C(C(=O)O)NCC(=O)O A11510 [0,0,1,0,0,0|1,0,1]=3 74 B8R0.28 C(C(=O)O)OCC(=O)O B23758 [0,0,1,0,0,0|2,0,1]=4 75 B8R0.28 C(CC(=O)O)CC(=O)O A14595 [0,0,1,0,0,0|2,0,1]=4 76 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,0,1,0,0,0|1,0,2]=4 77 B8R0.28 CC(C)CCCC(=O)O A19012 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.28 CC(CNCC(C)O)O A18451 [0,0,1,0,0,0|1,0,1]=3 79 B8R0.28 CN(C)CCCC(=O)O A16610 [0,0,1,0,0,0|3,0,0]=4 80 B8R1.23 C1C(CC1=O)C(=O)O H64774 [0,0,0,0,1,0|0,0,2]=3 81 B10R1.13 C1CC(=O)CCC1C(=O)O H27294 [0,0,0,0,0,1|1,0,2]=4 82 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O H27567 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H27489 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H31114 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.13 CN1CCC(CC1)C(=O)O H33083 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O H27455 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)N H62529 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)O H62232 [0,0,0,0,0,1|2,0,0]=3 89 B7R0.3 CCC(CCC=C)O B20128 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.4 C#CCCCC(=O)O B25132 [1,0,1,0,0,0|1,0,1]=4 91 B7R0.4 C(CC#N)CC(=O)O H66674 [1,0,1,0,0,0|0,0,2]=4 92 B7R0.4 C(CCBr)CC(=O)Cl A18046 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.4 C(CCBr)CC(=O)O A11765 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.4 C(CCCl)CC(=O)Cl H56237 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.4 C(CCN)CC(=O)O A15043 [1,0,1,0,0,0|0,0,0]=2 96 B7R0.4 C(CCN)CC(=O)O B24788 [1,0,1,0,0,0|0,0,0]=2 97 B7R0.4 C(COCC(=O)O)N H52289 [1,0,1,0,0,0|1,0,0]=3 98 B7R0.4 C=CCCCC(=O)O L12863 [1,0,1,0,0,0|1,0,1]=4 99 B7R0.4 CC(=O)CCCCCl H53462 [1,0,1,0,0,0|2,0,0]=4 100 B7R0.4 CCCC#CC(=O)O L02526 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.4 CCCCCC(=O)C A10200 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.4 CCCCCC(=O)Cl B23027 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.4 CCCCCC(=O)N H25929 [1,0,1,0,0,0|2,0,0]=4 104 B7R0.4 CCCCCC(=O)O A13789 [1,0,1,0,0,0|1,0,0]=3 105 B7R0.4 CCC\C=C\C(=O)O A13571 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.4 CC\C=C\CC(=O)O A13428 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.5 C#CC[C@H](C(=O)O)N H65798 [1,0,1,0,0,0|0,0,2]=4 108 B7R0.5 C(CN)C(C(=O)O)N A15408 [1,0,1,0,0,0|1,0,0]=3 109 B7R0.5 C(CN)[C@@H](C(=O)O)N L10093 [1,0,1,0,0,0|1,0,0]=3 110 B7R0.5 C(CN)[C@@H](C(=O)O)O H28796 [1,0,1,0,0,0|2,0,0]=4 111 B7R0.5 C(CO)C(C(=O)O)N H63118 [1,0,1,0,0,0|0,0,0]=2 112 B7R0.5 C(CO)[C@@H](C(=O)O)N L12427 [1,0,1,0,0,0|0,0,0]=2 113 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [1,0,1,0,0,0|0,0,2]=4 114 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [1,0,1,0,0,0|0,0,2]=4 115 B7R0.5 CC(CC=C)C(=O)O A11297 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CCCC(C(=O)O)Br L07047 [1,0,1,0,0,0|1,0,0]=3 117 B7R0.5 CCCC(C(=O)O)N A15900 [1,0,1,0,0,0|0,0,0]=2 118 B7R0.5 CCCC(C)C(=O)Cl L02725 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.5 CCCC(C)C(=O)O A13873 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [1,0,1,0,0,0|0,0,0]=2 121 B7R0.5 CCC[C@H](C(=O)O)N B23444 [1,0,1,0,0,0|0,0,0]=2 122 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.5 COC[C@@H](C(=O)O)N H52562 [1,0,1,0,0,0|1,0,0]=3 125 B7R0.5 COC[C@H](C(=O)O)N H65884 [1,0,1,0,0,0|1,0,0]=3 126 B7R0.6 C(CC(=O)O)C(=O)N L06539 [1,0,1,0,0,0|0,0,2]=4 127 B7R0.6 C(CC(=O)O)C(=O)O 33272 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.6 C(CC(=O)O)C(=O)O A12084 [1,0,1,0,0,0|1,0,1]=4 129 B7R0.6 CC(=O)CCC(=O)O A10813 [1,0,1,0,0,0|0,0,2]=4 130 B7R0.6 CC(C)CCC(=O)C L17584 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.6 CC(C)CCC(=O)O A15405 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.6 CC(CCC(C)O)O B25470 [1,0,1,0,0,0|1,0,1]=4 133 B7R0.6 C[C@@H](CC[C@H](C)O)O B25539 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.15 CCC(CC)C(=O)Cl B23774 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.15 CCC(CC)C(=O)O A16989 [1,0,1,0,0,0|1,0,0]=3 136 B7R0.2 CC(C)C[C@@H](CO)N B23745 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.2 CC(C)C[C@H](CO)N L13243 [1,0,1,0,0,0|1,0,1]=4 138 B7R1.1 C1CC(NC1)CO H62322 [2,0,0,0,0,0|0,0,1]=3 139 B7R1.1 C1CC(OC1)CO A17078 [2,0,0,0,0,0|1,0,1]=4 140 B7R1.1 C1CCC(C1)C=O H56609 [2,0,0,0,0,0|1,0,0]=3 141 B7R1.1 C1CCC(C1)CO A11595 [2,0,0,0,0,0|1,0,1]=4 142 B7R1.1 C1C[C@@H](NC1)CN H66198 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.1 C1C[C@@H](NC1)CO L11109 [2,0,0,0,0,0|0,0,1]=3 144 B7R1.1 C1C[C@@H](OC1)CO L19044 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.1 C1C[C@H](NC1)CO L09779 [2,0,0,0,0,0|0,0,1]=3 146 B7R1.1 C=CC1CCCC1 H26230 [2,0,0,0,0,0|2,0,0]=4 147 B7R1.2 C1C(COC1=O)O L20257 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.2 C1[C@@H](CNC1=O)O H66455 [2,0,0,0,0,0|0,0,1]=3 149 B7R1.2 C1[C@@H](COC1=O)O L20256 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.2 C1[C@H](CNC1=O)O H66006 [2,0,0,0,0,0|0,0,1]=3 151 B7R1.2 C1[C@H](COC1=O)O L20255 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.7 CC(CCC(=O)O)C(=O)O A11823 [0,1,1,0,0,0|1,0,1]=4 153 B9R0.13 CCCCC(CC)C(=O)O A12644 [0,1,1,0,0,0|2,0,0]=4 154 B9R0.13 CCCCC(CC)C(=O)O H54406 [0,1,1,0,0,0|2,0,0]=4 155 B9R0.47 CCCCCC(C)C(=O)O B22050 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.51 CCCCC(C)(C)C(=O)O L14664 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.15 CCCC(CCC)C(=O)O A12962 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC H65979 [0,1,1,0,0,0|1,0,0]=3 159 B9R0.57 C(C(C(=O)O)N)C(F)(F)F L13131 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.57 C([C@@H](C(=O)O)N)S(=O)(=O)O L09135 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.53 CC(C)C[C@@H](CC(=O)O)N H65857 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.53 CN(CC(=O)O)CC(=O)O L02589 [0,1,1,0,0,0|1,0,1]=4 163 B9R1.11 COC(=O)C1CCC=C1 H66743 [1,1,0,0,0,0|1,0,1]=4 164 B9R1.11 COC(=O)C1CCCC1 L00741 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.11 COC(=O)C1NCCS1 L10740 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.11 COC(=O)[C@@H]1CCCN1 L19290 [1,1,0,0,0,0|0,0,0]=2 167 B9R1.11 COC(=O)[C@H]1CCCN1 L17259 [1,1,0,0,0,0|0,0,0]=2 168 B9R1.41 CN1CCC[C@H]1C(=O)O H63241 [1,1,0,0,0,0|0,0,0]=2 169 B9R1.163 C1CCC(C1)(C(=O)O)N B22179 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.82 COC(=O)C1CC(=O)C1 H62110 [0,1,0,0,1,0|0,0,2]=4 171 B11R1.3 C1[C@@H](CC[C@H](C1)C(=O)O)CN B21742 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.3 CCC1CCC(CC1)C(=O)O H55002 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O B21897 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N H62562 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.727 C1CC(CCC1C(=O)O)(F)F H25831 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N H62024 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.15 CCOC(=O)[C@@H]1C[C@H](CN1)O H65633 [0,2,0,0,0,0|0,0,0]=2 178 B11R1.124 C#CC[C@@H]1C[C@H](NC1)C(=O)O H52048 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O H62405 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.6 C1CC(CNC1)C(=O)O B24723 [0,0,1,1,0,0|2,0,0]=4 181 B9R1.6 C1CCC(CC1)C(=O)O A14693 [0,0,1,1,0,0|2,0,0]=4 182 B9R1.6 C1CCNC(C1)C(=O)O B23541 [0,0,1,1,0,0|1,0,0]=3 183 B9R1.6 C1CCN[C@@H](C1)C(=O)O L15373 [0,0,1,1,0,0|1,0,0]=3 184 B9R1.6 C1CCN[C@H](C1)C(=O)O H63255 [0,0,1,1,0,0|1,0,0]=3 185 B9R1.6 C1CNC(CN1)C(=O)O H27101 [0,0,1,1,0,0|1,0,0]=3 186 B9R1.6 C1CNC(CN1)C(=O)O H27344 [0,0,1,1,0,0|1,0,0]=3 187 B9R1.6 C1CN[C@@H](CN1)C(=O)O H28972 [0,0,1,1,0,0|1,0,0]=3 188 B9R1.6 C1CN[C@H](CN1)C(=O)O H26898 [0,0,1,1,0,0|1,0,0]=3 189 B9R1.6 C1COCC(N1)C(=O)O H64336 [0,0,1,1,0,0|0,0,0]=2 190 B9R1.6 C1COC[C@@H](N1)C(=O)O H64189 [0,0,1,1,0,0|0,0,0]=2 191 B9R1.6 C1C[C@@H](CNC1)C(=O)O H57543 [0,0,1,1,0,0|2,0,0]=4 192 B9R1.6 C1C[C@H](CNC1)C(=O)O H57434 [0,0,1,1,0,0|2,0,0]=4 193 B9R2.39 C1C2CC(C1C=C2)O H56994 [1,0,0,1,0,0|2,0,0]=4 194 B9R2.39 C1CC2CC1CC2=O L01491 [1,0,0,1,0,0|2,0,0]=4 195 B11R2.845 C1CC2CC1CC2C(=O)O L08439 [0,0,0,1,0,1|2,0,0]=4 196 B7R0.16 CC(C(C(=O)O)Br)Br L04841 [0,0,1,0,1,0|2,0,0]=4 197 B7R0.16 CC(C)C(C(=O)O)Br A10756 [0,0,1,0,1,0|2,0,0]=4 198 B7R0.16 CC(C)C(C(=O)O)N A16756 [0,0,1,0,1,0|1,0,0]=3 199 B7R0.16 CC(C)C(C(=O)O)O H60872 [0,0,1,0,1,0|2,0,0]=4 200 B7R0.16 CC(C)[C@@H](C(=O)N)N H63775 [0,0,1,0,1,0|2,0,0]=4 201 B7R0.16 CC(C)[C@@H](C(=O)O)N A12720 [0,0,1,0,1,0|1,0,0]=3 202 B7R0.16 CC(C)[C@H](C(=O)O)N A18894 [0,0,1,0,1,0|1,0,0]=3 203 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O H27301 [0,0,1,0,1,0|0,0,0]=2 204 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O B21177 [0,0,1,0,1,0|0,0,0]=2 205 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A10606 [0,0,1,0,1,0|0,0,0]=2 206 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A16851 [0,0,1,0,1,0|0,0,0]=2 207 B7R0.16 C[C@H]([C@H](C(=O)O)N)O H27050 [0,0,1,0,1,0|0,0,0]=2 208 B7R1.18 C1C(CN1)C(=O)O H52294 [1,0,0,0,1,0|1,0,0]=3 209 B7R1.18 C1C(CO1)C(=O)O H57578 [1,0,0,0,1,0|1,0,0]=3 210 B7R1.18 C1CC(C1)C(=N)N H27475 [1,0,0,0,1,0|2,0,0]=4 211 B7R1.18 C1CC(C1)C(=O)Cl B20317 [1,0,0,0,1,0|1,0,0]=3 212 B7R1.18 C1CC(C1)C(=O)O A14480 [1,0,0,0,1,0|0,0,0]=2 213 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [1,0,0,0,1,0|0,0,0]=2 214 B7R1.18 CC(=O)C1CCC1 L03521 [1,0,0,0,1,0|1,0,0]=3 215 B7R1.12 CC1CC1C(=O)O H27815 [0,0,0,0,2,0|1,0,0]=3 216 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,0,1,0,0,1|2,0,0]=4 217 B9R1.13 C1CC(C=C1)CC(=O)O H27507 [1,0,0,0,0,1|1,0,1]=4 218 B9R1.13 C1CC(NC1)CC(=O)O H31749 [1,0,0,0,0,1|0,0,0]=2 219 B9R1.13 C1CCC(C1)CC(=O)Cl L14562 [1,0,0,0,0,1|2,0,0]=4 220 B9R1.13 C1CCC(C1)CC(=O)O A15696 [1,0,0,0,0,1|1,0,0]=3 221 B9R1.13 C1CNC(N1)NC(=O)N H60729 [1,0,0,0,0,1|2,0,0]=4 222 B9R1.13 C1C[C@@H](NC1)CC(=O)O H52085 [1,0,0,0,0,1|0,0,0]=2 223 B9R1.13 C1C[C@H](NC1)CC(=O)O H65110 [1,0,0,0,0,1|0,0,0]=2