0 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.5 C(=O)NC(C)C(=O)O L159670 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.5 CC(=O)N(C)CCN PH019599 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.5 CC(C)C(N)CCO BBO000682 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.5 CC(OC=O)C(=O)O PH007044 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.5 CCCC(C)C(C)O S433373 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.5 NCCC(N)C(=O)O PH018181 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 CC(CO)CCN CDS000171 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 N/C(=N\O)/CCO CBR01465 [1,0,0,0,0,0|1,1,1]=4 18 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 CC(CN)C(=O)O CDS014136 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 CC(CS)C(=O)O CDS000283 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(C)C(=O)N S799637 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(N)C(=O)N S784044 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 CCC(O)C(=O)O CDS000492 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.3 CNC(C)C(=O)N CBR00065 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 N#CC(N)C(=O)N CDS004651 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 NCC(N)C(=O)O R278769 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 C=C(Br)CCCO T297658 [1,0,0,0,0,0|2,1,0]=4 31 B6R0.4 CC(=O)NCCCl CDS001220 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.4 CC(=O)OCCS S363049 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CCCCC(=N)N PH017352 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 CCCCC(=S)N PH000512 [1,0,0,0,0,0|2,1,0]=4 35 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CNCCC(=O)O CDS013939 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CSCCC(=O)Cl CDS000414 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 N#CCCC(=O)O CDS009069 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.4 NC(=O)CCCCl OTV000845 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 NC(=O)NCCCl CDS000493 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 O=C(O)CCCS CDS004545 [1,0,0,0,0,0|0,0,0]=1 45 B8R0.2 C(=O)C(Br)C(Br)C(=O)O R462519 [0,1,0,0,0,0|1,1,1]=4 46 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.2 O=C(O)C(Br)C(Br)CBr S881333 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.8 NCCCC(N)C(=O)O S594881 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.14 CCCC(O)P(=O)(O)O PH007233 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.23 CC(C)CC(N)C(=O)N S788902 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.23 NC(=O)CC(Br)C(=O)O PH007627 [0,1,0,0,0,0|1,1,1]=4 69 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] S518085 [0,1,0,0,0,0|0,1,2]=4 70 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] S600768 [0,1,0,0,0,0|0,1,2]=4 71 B8R0.23 OC(=O)[C@H](O)CC(=O)N PH009423 [0,1,0,0,0,0|1,1,1]=4 72 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.7 S=C([S-])C1CCCN1 R128589 [0,0,0,1,0,0|1,2,0]=4 82 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,0,0,1,0,0|1,1,0]=3 85 B8R1.23 O=C1CC(C1)C(=O)O CDS004694 [0,0,0,1,0,0|1,1,1]=4 86 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.78 CC1(COC1)C(=O)O SYX00377 [0,0,0,1,0,0|3,0,0]=4 88 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,0,0,0,0,1|1,0,0]=2 89 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 NCCC(=O)N CDS000027 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 O=C(O)C[Hg]Cl S881910 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 C(=O)CCC=C CDS000721 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.3 C(=O)C(S)CO S612626 [2,0,0,0,0,0|1,1,0]=4 96 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.5 CC(=O)C(C)F CDS002853 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.5 CC(O)C(=O)[O-] S933260 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.11 CCCC(Cl)(Cl)C=O PH014411 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.13 CCC(C)(O)C(=O)C PH007065 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.13 COC(C)(C)C(=O)O CDS009439 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.14 CCC(N)P(=O)(O)O R426547 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [1,1,0,0,0,0|0,0,2]=4 108 B7R0.15 CCC(CC)C(=O)C PH016168 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.15 CCC(CC)C(=O)N S378488 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.15 CCC(NN)C(=O)O PH009006 [1,1,0,0,0,0|0,0,0]=2 111 B7R0.15 CCC(NO)C(=O)O S283789 [1,1,0,0,0,0|0,0,0]=2 112 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.16 CC(O)C(N)C(=O)N S781339 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.16 O=C(O)C(F)C(Cl)Cl S28488 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.4 C=CCOCC(=O)O CDS023318 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|1,1,0]=4 120 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.4 CNCCCC(=O)O PH006886 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|0,1,0]=3 125 B7R0.4 CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|0,0,0]=2 126 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.4 N#CCCCC(=O)O CDS007802 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.4 N#CCSCC(=O)O EME00129 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|1,1,0]=4 130 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|1,1,0]=4 131 B7R0.4 NCCNCC(=O)O CDS000144 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.6 CC(C)CCC(=O)Cl PH015411 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.6 CC(C)SCC(=O)O OTV000315 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.6 CN(C)CCC(=O)O CDS000423 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.6 CN(C)CCC(=O)O CDS013778 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.6 O=C(O)CCC(=O)O S427594 [1,1,0,0,0,0|0,1,1]=4 139 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,0,0,0,1|1,0,0]=3 140 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CDS008875 [0,1,0,0,0,1|1,0,0]=3 141 B9R0.27 CCC(C)C(N)C(=O)OC KOB0125 [0,2,0,0,0,0|1,0,0]=3 142 B9R0.28 CCC(C)C(C)(C)C(=O)O PH007547 [0,2,0,0,0,0|2,0,0]=4 143 B9R0.29 CCC(C)C(NC)C(=O)O S783234 [0,2,0,0,0,0|1,0,0]=3 144 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CDS020792 [0,2,0,0,0,0|0,1,1]=4 146 B9R0.7 C[S+](C)CCC(N)C(=O)O S582026 [0,2,0,0,0,0|0,0,1]=3 147 B9R0.7 C[S+](C)CCC(N)C(=O)O S859427 [0,2,0,0,0,0|0,0,1]=3 148 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CDS008161 [0,2,0,0,0,0|1,1,0]=4 149 B9R0.7 NC(=O)OCC(N)C(=O)O PH008887 [0,2,0,0,0,0|0,1,1]=4 150 B9R0.7 NC(CCC(=O)O)C(=O)[O-] R464414 [0,2,0,0,0,0|0,1,1]=4 151 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] S595179 [0,2,0,0,0,0|0,1,1]=4 152 B9R0.7 [C@@H](N)(CCC(=O)N)C(=O)O S452084 [0,2,0,0,0,0|0,1,0]=3 153 B9R0.7 [C@H](N)(CCC(=O)[O-])C(=O)O S372226 [0,2,0,0,0,0|0,1,0]=3 154 B9R0.42 CCN(C)CC(C)C(=O)O CBR01343 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.47 CC(NCCC#N)C(=O)O S114073 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,2,0,0,0,0|0,1,0]=3 157 B9R0.51 CCCCC(C)(C)C(=O)O PH000318 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.11 CC(C)CC(C)(N)C(=O)O PH011195 [0,2,0,0,0,0|1,0,0]=3 159 B9R0.10 CC(C)CC(N)S(=O)(=O)O PH008645 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.15 C=CCC(CCC)C(=O)O PH004878 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.33 CCCC(C(=O)N)C(=O)N PH009402 [0,2,0,0,0,0|2,0,0]=4 162 B9R0.39 [C@H](CC(=O)O)(NC)C(=O)O R426059 [0,2,0,0,0,0|0,1,1]=4 163 B9R0.57 CC(CC(C)(C)N)C(=O)O T160466 [0,2,0,0,0,0|2,0,0]=4 164 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.3 NC1CCCOC1 CDS009128 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|0,1,0]=3 168 B7R1.4 NC1CCSC1=O S784036 [1,0,0,1,0,0|0,0,0]=2 169 B7R1.4 NN1CCOC1=O S462624 [1,0,0,1,0,0|1,1,0]=4 170 B7R1.4 N[C@H]1CCNC1=O CDS010107 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.18 NC(=O)C1CCC1 S680745 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.18 O=C(O)C1CCN1 CDS008419 [1,0,0,1,0,0|0,0,0]=2 175 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.20 O=C(O)CC1CC1 CDS000888 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,1|2,0,0]=4 178 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,0,0,1,0,1|2,0,0]=4 179 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,1,0,1,0,0|1,0,0]=3 183 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,1,0,1,0,0|1,1,0]=4 184 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.186 COC(=O)C1(CCC1)N CDS020914 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,1,0,1,0,0|1,1,0]=4 190 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,1,0,1,0,0|0,0,0]=2 191 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O CDS007467 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [0,1,0,1,0,0|0,1,0]=3 196 B9R1.112 N[C@@H](CC1CC1)C(=O)O CDS007244 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.163 CC1(OCCO1)C(=O)O CBR01802 [0,1,0,1,0,0|1,1,0]=4 198 B9R1.163 O=C(O)C1(CCCC1)O CBR00072 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.163 O=C(O)C1(CCSC1)O PH001084 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.165 CC(N)(C(=O)O)C1CC1 CBR01846 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.164 O=C(O)C1CC(C1)(F)F MNO000127 [0,1,0,1,0,0|2,0,0]=4 202 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,0,0,0,0,2|2,0,0]=4