0 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(CN)C(=O)O CDS014136 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CC(CS)C(=O)O CDS000283 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.3 CC(N)C(C)CO PH007413 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(O)C(C)CO S309524 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CCC(C)C(=O)N S799637 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(N)C(=O)N S784044 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(O)C(=O)O CDS000492 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CNC(C)C(=O)N CBR00065 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 C[C@@H](CO)N(C)C T260711 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.3 N#CC(N)C(=O)N CDS004651 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 NCC(N)C(=O)O R278769 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 C(=O)C(S)CO S612626 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 C=CC(O)CBr TMT00686 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 CC(CN)CO CDS010871 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 NC(CBr)CBr R150371 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 NCC(CN)N S741841 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.5 C=C(C)C(=O)C CDS000556 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.5 C=C(C)C(C)O T277479 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.5 CC(=O)C(C)F CDS002853 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.5 CC(C)C(=N)N CDS015019 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.5 CC(C)C(=S)N PH006913 [1,0,0,0,0,0|2,1,0]=4 41 B5R0.5 CC(O)C(=O)[O-] S933260 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.5 O=C(O)C(=O)O S647829 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.5 C(=O)NC(C)C(=O)O L159670 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 CC(C)C(N)CCO BBO000682 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CC(OC=O)C(=O)O PH007044 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.5 NCCC(N)C(=O)O PH018181 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|0,1,0]=2 62 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.13 C=C(C)C(C)(C)CO S988618 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.13 CC(C)(C#N)C(=O)O CDS015871 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.13 CC(O)C(C)(C)CO S368474 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.13 CCC(C)(O)C(=O)C PH007065 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.13 COC(C)(C)C(=O)O CDS009439 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.13 NC(=O)C(Cl)(Cl)CCl S373753 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.13 OCC(O)(Br)C(O)Br T332739 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.14 CCC(N)P(=O)(O)O R426547 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.15 CCC(CC)C(=O)C PH016168 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.15 CCC(CC)C(=O)N S378488 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.15 CCC(NN)C(=O)O PH009006 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.15 CCC(NO)C(=O)O S283789 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.16 O=C(O)C(Br)C(=O)O PH003362 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.16 O=C(O)C(F)C(Cl)Cl S28488 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|1,0,0]=2 86 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|1,1,0]=3 87 B7R1.4 NN1CCOC1=O S462624 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,0,0,1,0,0|1,0,1]=3 90 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.18 NC(=O)C1CNC1 PHB00032 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,0,1,0,0|1,0,0]=2 98 B7R0.2 C=C(Cl)C[C@H](O)CO T269794 [0,0,0,0,0,1|3,0,0]=4 99 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [0,0,0,0,0,1|2,0,1]=4 100 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,0,0,0,0,1|3,0,0]=4 101 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,0,0,0,0,1|1,0,0]=2 102 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,0,0,0,0,1|2,0,0]=3 103 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,0,0,0,0,1|2,0,0]=3 104 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,0,0,0,0,1|0,0,0]=1 105 B4R0.1 C#CC(C)N CDS010388 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,1]=3 111 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 112 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|0,1,0]=3 115 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|0,0,1]=3 116 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.1 N/C(=N\O)/CCO CBR01465 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.2 NC(=O)CC(=O)O S937436 [1,1,0,0,0,0|0,0,2]=4 126 B6R0.4 C=C(Br)CCCO T297658 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|1,1,0]=4 129 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 COCCC(=N)N CBR01198 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|1,1,0]=4 137 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|0,1,0]=3 141 B6R0.5 O=S(=O)([O-])CCO CDS003508 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.8 C(=O)C(C)(C)CO R425931 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.8 CC(Cl)(C=O)CCl PH007234 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.7 CC(=O)C(C)(C)Cl S304212 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.7 CC(C)(N)C(=O)N CBR00900 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.7 CC(Cl)(Cl)C(=O)[O-] R426326 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.7 CC(N)P(=O)(O)O R425923 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.7 O=C(O)C(F)(F)F S619701 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,1,0,0,0,1|2,0,0]=4 153 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,1,0,0,0,1|2,0,0]=4 154 B8R0.2 O=C(O)C(Br)C(Br)CBr S881333 [0,1,0,0,0,1|2,0,0]=4 155 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,1,0,0,0,1|1,0,0]=3 156 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|1,0,0]=3 157 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|1,0,0]=3 158 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,1,0,0,0,1|2,0,0]=4 159 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|0,0,0]=2 163 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,2,0,0,0,0|1,1,0]=4 165 B8R0.8 NCCCC(N)C(=O)O S594881 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,2,0,0,0,0|0,1,0]=3 167 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [0,2,0,0,0,0|1,1,0]=4 168 B8R0.13 COC(=O)C(C)(Br)CBr S881287 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.20 CCC(CC)C(=O)OC S240257 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.20 CCC(NC)C(=O)OC CBR01434 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.36 CCC(N)(CC)C(=O)N PH012935 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.37 CC(Br)C(C)(Br)C(=O)O T305987 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|0,1,0]=3 175 B8R0.27 O=C(O)C(F)C(F)(F)F CDS003417 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.27 O=C(O)C(O)C(Cl)(Cl)Cl PH002385 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.27 O=C(O)C(O)C(F)(F)F CDS002724 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,2,0,0,0,0|2,0,0]=4 179 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|1,0,1]=4 181 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,1|2,0,0]=4 184 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,0,0,1,0,1|2,0,0]=4 185 B8R1.1 O=C1OCC(O1)CCl S416657 [0,0,0,1,0,1|2,0,0]=4 186 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,0,0,1,0,1|2,0,0]=4 187 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,1,0,1|2,0,0]=4 188 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,0,0,1,0,1|2,0,0]=4 189 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,0,0,1,0,1|2,0,0]=4 190 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,1,0,1,0,0|0,1,0]=3 197 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.23 O=C1CC(C1)C(=O)O CDS004694 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.78 CC1(COC1)C(=O)O SYX00377 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.38 COC(=O)C1CCC1 S851957 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.39 COC(=O)C1(CC1)N CDS020064 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.63 NC(=O)C1(CC1)CO CBR00174 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.63 NCC1(CC1)C(=O)O CDS015451 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.63 O=C(O)C1(CC1)CO CDS024235 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|2,0,0]=4