0 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F BC678396 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O BC228051 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S BC649894 [0,0,0,0,0,0|0,1,0]=1 7 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC211262 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC600062 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F BC207720 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O BC205527 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC202599 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC676715 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 C1C=CCC1C(=O)O BC226569 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [1,0,0,0,0,0|0,0,2]=3 17 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.7 C1CNCC1C(=O)O BC202146 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 CC(=O)C1CCCC1 BC225383 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.14 COC(=O)C1CCC(=O)C1 BC257487 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O BC244795 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O BC681204 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [0,0,1,0,0,0|0,0,2]=3 33 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [0,0,1,0,0,0|0,0,2]=3 34 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,0,1,0,0,0|1,0,0]=2 38 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [0,0,1,0,0,0|1,0,1]=3 39 B8R1.23 C1C(CC1=O)C(=O)O BC225162 [0,0,0,0,1,0|0,0,2]=3 40 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,0,0,1,0|1,0,0]=2 41 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,0,0,1,0|1,0,0]=2 42 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,0,0,0,0,1|1,0,2]=4 43 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,0,0,0,0,1|1,0,0]=2 44 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,0,0,0,0,1|1,0,0]=2 46 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O BC600027 [0,0,0,0,0,1|0,0,2]=3 47 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600028 [0,0,0,0,0,1|0,0,2]=3 48 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600045 [0,0,0,0,0,1|0,0,2]=3 49 B10R1.13 CN1CCC(CC1)C(=O)O BC676846 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O BC205530 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.113 C1C(NC(=O)CN1)C(=O)O BC600006 [0,0,0,0,0,1|1,0,2]=4 52 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,0,0,0,0,1|1,0,0]=2 54 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,0,1,0,0,0|1,0,0]=3 56 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [1,0,1,0,0,0|0,0,0]=2 59 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [1,0,1,0,0,0|0,0,0]=2 60 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,0,1,0,0,0|0,0,2]=4 61 B7R0.5 COCC(C(=O)O)Cl BC686173 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.5 COCC(C(=O)O)N BC686174 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.5 COC[C@H](C(=O)O)N BC679204 [1,0,1,0,0,0|1,0,0]=3 65 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.6 C[S+](C)CCC(=O)O BC215874 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.2 CC(C)C[C@@H](CO)N BC205071 [1,0,1,0,0,0|1,0,1]=4 68 B7R1.1 C1CC(NC1)CN BC683593 [2,0,0,0,0,0|1,0,1]=4 69 B7R1.1 C1CC(NC1)CO BC683595 [2,0,0,0,0,0|0,0,1]=3 70 B7R1.1 C1CC(OC1)C=O BC677017 [2,0,0,0,0,0|1,0,0]=3 71 B7R1.1 C1CC(OC1)CO BC203371 [2,0,0,0,0,0|1,0,1]=4 72 B7R1.1 C1CCC(C1)C=O BC228665 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.2 C1C[C@@H](C[C@H]1N)O BC243140 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.2 C1C[C@H](C[C@@H]1N)O BC666823 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.2 C1C[C@H](C[C@H]1N)O BC243224 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [2,0,0,0,0,0|0,0,1]=3 77 B7R1.2 C1[C@H](CNC1=O)O BC676893 [2,0,0,0,0,0|0,0,1]=3 78 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O BC640487 [0,1,1,0,0,0|0,0,1]=3 80 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N BC676889 [0,1,1,0,0,0|1,0,0]=3 81 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O BC679186 [0,1,1,0,0,0|1,0,0]=3 82 B9R0.79 C[C@H]([C@@H](C(=O)O)N)C(C)O BC684916 [0,1,1,0,0,0|0,0,0]=2 83 B9R1.11 C1CCC(C1)C(=O)CCl BC225379 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.11 COC(=O)C1CCCO1 BC219007 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.11 COC(=O)C1CCNC1 BC222655 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.163 CC1(CCNC1)C(=O)O BC223711 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.3 C1[C@@H](CC[C@H](C1)C(=O)O)CN BC215624 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.727 C1CC(CCC1C(=O)O)(F)F BC200238 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,0,1,1,0,0|1,0,0]=3 91 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,0,1,1,0,0|1,0,0]=3 92 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,0,1,1,0,0|1,0,0]=3 93 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [0,0,1,1,0,0|1,0,0]=3 94 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [0,0,1,1,0,0|1,0,0]=3 95 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [0,0,1,1,0,0|1,0,0]=3 96 B9R1.6 C1COC(CN1)C(=O)O BC204770 [0,0,1,1,0,0|2,0,0]=4 97 B9R1.6 C1COCC(N1)C(=O)O BC217600 [0,0,1,1,0,0|0,0,0]=2 98 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [0,0,1,1,0,0|0,0,0]=2 99 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [0,0,1,1,0,0|2,0,0]=4 100 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [0,0,1,1,0,0|2,0,0]=4 101 B9R1.6 CC(=O)C1CCCCN1 BC223321 [0,0,1,1,0,0|2,0,0]=4 102 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,0,1,0,1,0|0,0,0]=2 103 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,0,1,0,1,0|0,0,0]=2 104 B7R1.18 C1C(CN1)C(=O)O BC202058 [1,0,0,0,1,0|1,0,0]=3 105 B7R1.18 C1C(CN1)C(=O)O BC225187 [1,0,0,0,1,0|1,0,0]=3 106 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,0,1,0|0,0,0]=2 107 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,0,1,0|1,0,0]=3 108 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [1,0,0,0,0,1|2,0,0]=4 109 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [1,0,0,0,0,1|2,0,0]=4 110 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [1,0,0,0,0,1|2,0,0]=4 111 B9R1.13 C1CSSC1CC(=O)O BC211846 [1,0,0,0,0,1|2,0,0]=4