0 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C(CCBr)CC(=O)O BC220689 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 C(CC(=O)O)C#N BC670380 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 C=CCCC(=O)O BC678220 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.4 CC(=O)OCCBr BC677702 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 C(CCO)CCCl BC220627 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.6 CCCCCCS BC231905 [1,0,0,0,0,0|0,1,1]=3 11 B6R0.6 CCCNCCC BC219597 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CCC\C=C\C=O BC231929 [1,0,0,0,0,0|0,0,2]=3 13 B8R0.5 C=CC[C@H](CC(=O)O)N BC675393 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.5 CCOC(=O)CC(=O)[O-] BC225996 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.6 CCCCOC(=O)C=O BC202578 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.6 COC(=O)COCCCl BC214305 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.7 C(CCC(=O)O)CCBr BC206267 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.7 C(CCC(=O)O)CCN BC204341 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.7 CC(=O)OCCOCBr BC224182 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.8 CSCCC(C(=O)[O-])O BC650591 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.21 CCCCOS(=O)(=O)C BC224238 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [0,1,0,0,0,0|1,0,2]=4 33 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 C1CC(CC(C1)O)N BC677022 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 C1CNC(=O)CC1N BC678826 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 C1CNC(=O)CC1O BC678827 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 CN1CCCC(C1)O BC219296 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.4 C[C@@H]1CNC[C@@H](O1)C BC221888 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.4 C[C@H]1CCC[C@@H](N1)C BC219288 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 C1C=CCC1C(=O)O BC226569 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.7 C1CC(OC1)C(=O)O BC226570 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.7 C1CNCC1C(=O)O BC202146 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.22 C1CNCCNC1=O BC270533 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.22 C1COCC(=O)CO1 BC686130 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.72 C1CCS(=O)(=O)OC1 BC222891 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.72 C1CNCCC1(O)O BC205744 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.72 C1CS(=O)(=O)CCN1 BC207358 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.72 C1CS(=O)(=O)CCN1 BC245321 [0,0,0,1,0,0|2,0,1]=4 60 B5R0.1 C(CN)C(=O)O BC219368 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 C(CS)C(=O)O BC226809 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CCCC(=[NH2+])N BC202602 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.2 C#CCCCO BC210688 [2,0,0,0,0,0|0,0,2]=4 66 B5R0.2 C(CC=O)C=O BC222879 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 C(CCBr)CBr BC201066 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 C(CCO)CN BC205259 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.2 C=CCCCBr BC202057 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CCOCCCl BC214993 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [1,1,0,0,0,0|0,0,0]=2 72 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [1,1,0,0,0,0|0,0,0]=2 73 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [1,1,0,0,0,0|0,0,0]=2 74 B7R0.3 CCCCC(=O)NN BC211453 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.3 COCCC(=O)OC BC210937 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.5 COCC(C(=O)O)Cl BC686173 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.5 COCC(C(=O)O)N BC686174 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.5 COC[C@H](C(=O)O)N BC679204 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.6 CC(=O)CCC(=O)C BC676318 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,1,0,0,0,0|0,0,1]=3 86 B7R0.6 CC(C)COC(=O)Cl BC226048 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.6 C[S+](C)CCC(=O)O BC215874 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.8 C(CP(=O)(O)O)CBr BC216415 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.1 C(CCCCl)CCO BC209640 [1,1,0,0,0,0|0,0,1]=3 90 B7R0.1 C(CN)CNCCO BC219712 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.1 CCCCOCCO BC675581 [1,1,0,0,0,0|0,0,1]=3 92 B7R0.7 CCOC(=O)CC=O BC222385 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.34 COCC(=O)CC(=O)OC BC201350 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.1 COC(=O)CCCC(=O)Cl BC220631 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.5 CCOC(=O)CCCCN BC256319 [0,2,0,0,0,0|1,0,0]=3 96 B9R0.8 COC(=O)C(CCCBr)Br BC676316 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N BC205410 [0,2,0,0,0,0|0,0,1]=3 98 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,2,0,0,0,0|0,0,1]=3 101 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC223742 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC687511 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,2,0,0,0,0|0,0,0]=2 105 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,2,0,0,0,0|0,0,0]=2 106 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 C1CC(=O)OC1=O BC676904 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.2 CC1=CC(=O)CC1 BC243785 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.2 CC1=CCC(=O)O1 BC205542 [1,0,0,1,0,0|0,0,2]=4 111 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 C1CCNC(C1)O BC219297 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.3 C1COCCC1=O BC210699 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.14 C1CCS(=O)(=O)C1 BC200816 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.18 C1C(CN1)C(=O)O BC202058 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.18 C1C(CN1)C(=O)O BC225187 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.20 C1CC1CC(=O)O BC205620 [1,0,0,1,0,0|0,0,0]=2 125 B7R1.1 C1CC(NC1)CO BC683595 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.1 C1CC(OC1)C=O BC677017 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.1 C1CC(OC1)CO BC203371 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.1 C1CCC(C1)C=O BC228665 [1,0,0,1,0,0|0,0,0]=2 129 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.4 C1C[C@H]([C@@H](C1)O)N BC210746 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.4 CC1CCNC1=O BC676006 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.4 CN1CCCC1=O BC675578 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.4 CN1CCNC1=O BC207797 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.7 CCOC1CCC(=O)N1 BC206926 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [0,1,0,1,0,0|0,0,0]=2 137 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [0,1,0,1,0,0|0,0,0]=2 138 B9R1.13 C1CSSC1CC(=O)O BC211846 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [0,1,0,1,0,0|0,0,0]=2 140 B9R1.1 CCN1CCC(=O)CC1 BC683778 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.11 C1CCC(C1)C(=O)CCl BC225379 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.11 COC(=O)C1CC=CC1 BC222628 [0,1,0,1,0,0|0,0,2]=4 143 B9R1.11 COC(=O)C1CCCO1 BC219007 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.11 COC(=O)C1CCNC1 BC222655 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.50 C1CCCNC(=O)CC1 BC677015 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.118 C#CC1(CCCCC1)O BC220251 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [0,1,0,1,0,0|0,0,1]=3 150 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,1,0,1,0,0|0,0,1]=3 151 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,1,0,1,0,0|0,0,0]=2 153 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,1,0,1,0,0|0,0,0]=2 155 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.6 C1CNCCC1C(=O)N BC220411 [0,1,0,1,0,0|1,0,0]=3 157 B9R1.6 C1CNCCC1C(=O)O BC200847 [0,1,0,1,0,0|0,0,0]=2 158 B9R1.6 C1CNCCC1C(=O)O BC202249 [0,1,0,1,0,0|0,0,0]=2 159 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.6 C1COC(CN1)C(=O)O BC204770 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.6 C1COCC(N1)C(=O)O BC217600 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.6 C1COCCC1C(=O)Cl BC222341 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.6 C1COCCC1C(=O)O BC202214 [0,1,0,1,0,0|0,0,0]=2 165 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [0,1,0,1,0,0|0,0,0]=2 167 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [0,1,0,1,0,0|0,0,0]=2 168 B9R1.6 CC(=O)C1CCCCN1 BC223321 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.6 CC(=O)C1CCOCC1 BC260535 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.6 CC(=O)N1CCCCC1 BC209956 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.83 CCCCOCC1CO1 BC202676 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,1,0,1,0,0|0,0,1]=3 173 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F BC678396 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O BC228051 [0,1,0,1,0,0|1,0,0]=3 178 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S BC649894 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC211262 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC600062 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,1,0,1,0,0|0,0,2]=4 182 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F BC207720 [0,1,0,1,0,0|1,0,0]=3 183 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O BC205527 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC202599 [0,1,0,1,0,0|1,0,0]=3 185 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC676715 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,1,0,1,0,0|0,0,0]=2 187 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N BC225195 [0,1,0,1,0,0|0,0,0]=2 188 B9R1.163 CC1(CCNC1)C(=O)O BC223711 [0,1,0,1,0,0|1,0,0]=3 189 B9R2.25 C1C2C1C(=O)OC2=O BC680768 [0,0,0,2,0,0|1,0,1]=4