0 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 CSCCC(C(=O)[O-])O BC650591 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [1,0,0,0,0,0|0,1,0]=2 11 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [1,0,0,0,0,0|0,1,0]=2 12 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 COCC(C(=O)O)Cl BC686173 [1,0,0,0,0,0|1,1,0]=3 14 B7R0.5 COCC(C(=O)O)N BC686174 [1,0,0,0,0,0|0,1,0]=2 15 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [1,0,0,0,0,0|0,1,0]=2 16 B7R0.5 COC[C@H](C(=O)O)N BC679204 [1,0,0,0,0,0|0,1,0]=2 17 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC223742 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC687511 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.8 COC(=O)C(CCCBr)Br BC676316 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [0,1,0,0,0,0|0,1,1]=3 24 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [0,1,0,0,0,0|0,1,1]=3 25 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N BC205410 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,0,0,1,0,0|1,0,0]=2 33 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.6 C1CNCCC1C(=O)N BC220411 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 C1CNCCC1C(=O)O BC200847 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.6 C1CNCCC1C(=O)O BC202249 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.6 C1COC(CN1)C(=O)O BC204770 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.6 C1COCC(N1)C(=O)O BC217600 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.6 C1COCCC1C(=O)Cl BC222341 [0,0,0,1,0,0|2,1,0]=4 43 B9R1.6 C1COCCC1C(=O)O BC202214 [0,0,0,1,0,0|1,1,0]=3 44 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.6 CC(=O)C1CCCCN1 BC223321 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 CC(=O)C1CCOCC1 BC260535 [0,0,0,1,0,0|2,1,0]=4 49 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.35 C1CC(=O)N[C@@H]1C(=O)N BC683023 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] BC223766 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N BC225195 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.163 CC1(CCNC1)C(=O)O BC223711 [0,0,0,1,0,0|2,0,0]=3 58 B6R0.1 COC[C@H](CO)N BC206377 [2,0,0,0,0,0|0,1,1]=4 59 B6R0.4 C(CC(=O)O)C#N BC670380 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 C(CC(=O)O)CBr BC219750 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.4 C(CC(=O)O)CN BC204189 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.4 C=CCCC(=O)O BC678220 [2,0,0,0,0,0|0,0,2]=4 63 B6R0.3 C(C(C(=O)O)N)N BC202898 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.3 C(C(C(=O)O)N)O BC205416 [2,0,0,0,0,0|0,1,0]=3 65 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [2,0,0,0,0,0|0,1,0]=3 66 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [2,0,0,0,0,0|0,0,0]=2 67 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [2,0,0,0,0,0|0,1,0]=3 70 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.3 C=C[C@@H](C(=O)O)N BC280882 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.3 C=C[C@H](C(=O)O)N BC640608 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.3 CC[C@H](C(=O)O)N BC681077 [2,0,0,0,0,0|0,0,0]=2 76 B8R0.5 C=CC[C@H](CC(=O)O)N BC675393 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.7 C(CCC(=O)O)CCBr BC206267 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.7 C(CCC(=O)O)CCN BC204341 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC BC215133 [1,1,0,0,0,0|0,1,0]=3 80 B8R0.12 C[C@@](CC=C)(C(=O)O)N BC677900 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.12 C[C@](CC=C)(C(=O)O)N BC213751 [1,1,0,0,0,0|0,0,2]=4 82 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [1,1,0,0,0,0|0,0,0]=2 84 B10R0.57 COC(=O)[C@H](CCC(=O)N)N BC677169 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N BC215949 [0,2,0,0,0,0|1,0,0]=3 86 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O BC275520 [0,2,0,0,0,0|1,0,1]=4 87 B8R1.2 C1CCC(CC1)C=O BC205561 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.2 C1CNCCC1C=O BC675947 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 C1CCN(C(=O)C1)N BC682035 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 C1C=CCC1C(=O)O BC226569 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.7 C1CNCC1C(=O)O BC202146 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [1,0,0,1,0,0|0,1,0]=3 97 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.7 CC(=O)C1CCCC1 BC225383 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.54 C1CC1[C@@H](C(=O)O)N BC225197 [1,0,0,1,0,0|0,0,0]=2 104 B8R1.54 C1CC1[C@H](C(=O)O)N BC225198 [1,0,0,1,0,0|0,0,0]=2 105 B8R1.78 CC1(COC1)C(=O)O BC653164 [1,0,0,1,0,0|1,1,0]=4 106 B10R1.18 C1CCC(CC1)CC(=O)O BC216390 [0,0,0,1,0,1|2,0,0]=4 107 B10R1.18 C1CCNC(C1)CC(=O)O BC211585 [0,0,0,1,0,1|1,0,0]=3 108 B10R1.18 C1COCCC1CC(=O)O BC677407 [0,0,0,1,0,1|1,1,0]=4 109 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N BC225194 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.275 CN1CCCC[C@@H](C1=O)N BC215285 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O BC600027 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600028 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600045 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.13 CN1CCC(CC1)C(=O)O BC676846 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.359 CC1(NC(CS1)C(=O)O)C BC205685 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600048 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600235 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BC204901 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.15 COC(=O)C1CCCCN1 BC226785 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.15 COC(=O)C1CCNCC1 BC204833 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.15 COC(=O)C1CCOCC1 BC679737 [0,1,0,1,0,0|1,1,0]=4 126 B10R1.15 COC(=O)C1CNCCN1 BC218990 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.15 COC(=O)[C@@H]1CCCCN1 BC204284 [0,1,0,1,0,0|1,0,0]=3 128 B10R1.15 COC(=O)[C@@H]1CCCCN1 BC223302 [0,1,0,1,0,0|1,0,0]=3 129 B10R1.411 COC(=O)C1(CCCC1)N BC222664 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.348 C1CCC(NCC1)C(=O)O BC677014 [0,1,0,1,0,0|1,0,0]=3 131 B10R1.113 C1C(NC(=O)CN1)C(=O)O BC600006 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.113 C1CC(NC(=O)C1)C(=O)O BC215498 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,1,0,1,0,0|1,0,0]=3