0 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.5 CCCC(Br)C(C)Br D81745 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCC[C@H](N)CO C13482 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 NCC[C@H](O)CO F51073 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 N[C@H](CO)CCO AB10026 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 N[C@H](CO)CCO AB10027 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 C=C(CBr)C(=O)O 74879 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.3 C=C(I)[C@@H](C)CI 27069 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 C=C[C@H](C)C(=O)O T72590 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.3 C=C[C@H](N)C(=O)O 33352 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.3 C=C[C@H](N)C(=O)O 39549 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.3 CCN(C)C(C)=O F19909 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,0,0,0,0,0|0,0,0]=1 28 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 C[C@H](C#N)C(=O)O C75969 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 C=C(C)CCCBr 71968 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 COC=CC(=O)O D97266 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 O=C([O-])CNCO F20522 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.12 C#CCC(C)(C)C(=O)O D95067 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.12 CC(C)(CC#N)C(=O)O D84383 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.12 CC(C)(CCCl)C(=O)Cl AC1915 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,1,0,0,0,0|0,0,0]=1 75 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,1,0,0,0,0|0,0,0]=1 76 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.5 CC1CCNCC1O 38882 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.5 CC1CNCCC1O 20765 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.5 CC1CNCCC1O 33365 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.5 CC1NCCOC1C F12405 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|0,0,0]=1 93 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.7 NC(=O)N1CCCC1 32811 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,0,0|1,0,0]=2 134 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.43 N#CC1CC1C(=O)O P14648 [0,0,0,1,0,0|1,0,1]=3 144 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.43 O=C(O)C1CC1CCl D85971 [0,0,0,1,0,0|1,0,0]=2 147 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,0,0,1,0,0|1,0,0]=2 148 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.78 CC(=O)C1(C)COC1 32790 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.78 NC(=O)C1(N)COC1 P19028 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.78 NC1(C(=O)O)CNC1 38052 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.78 NC1(C(=O)O)CSC1 P11488 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.78 O=C(O)C1(O)CNC1 P12583 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.78 O=[N+]([O-])C1(Br)CCC1 AC1297 [0,0,0,1,0,0|2,0,1]=4 157 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [0,0,0,0,0,1|1,0,2]=4 158 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,0,0,0,0,1|2,0,1]=4 159 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,0,0,0,0,1|1,0,0]=2 160 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,0,0,0,0,1|2,0,1]=4 161 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,0,0,0,0,1|1,0,0]=2 162 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,0,0,0,0,1|0,0,1]=2 163 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|0,0,2]=4 164 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|0,0,2]=4 165 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.1 C[C@H](O)CC#N 87623 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 C[C@H](O)CON O10313 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 C#CCCC=O 89357 [2,0,0,0,0,0|0,0,2]=4 178 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.3 CC[C@H](C)CN 88665 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.3 CN[C@@H](C)CO AC8719 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.3 CN[C@@H](C)CO C77593 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.3 CN[C@@H](C)CO D80042 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.3 CN[C@@H](C)CO D80344 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.3 CN[C@@H](C)CO D82586 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.3 CO[C@@H](C)CO 91002 [2,0,0,0,0,0|1,0,1]=4 189 B5R0.3 C[C@@H](CO)CBr AB3182 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.5 CC(=O)[C@H](C)N D76571 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.5 C[C@H](N)C(N)=O 25148 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.7 CCC[C@H](N)CCO AT20461 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.7 CCC[C@H](N)CCO I11080 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.7 CCC[C@H](N)CCO N12794 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.11 CC(C)(CO)CCO W16131 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.11 CCCC(C)(C)C#N T70545 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.11 CCC[C@](C)(N)C#N 20848 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.11 COCC(C)(C)CO BL000418 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.12 CCCC(CO)CO AB7729 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.12 CCN[C@@H](CC)CO 29377 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.13 C=CC(C)(C)C(=O)O F12167 [1,1,0,0,0,0|0,0,2]=4 206 B7R0.13 CC(=O)C(C)(C)CO Y13534 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.13 CC(C)(C#N)C(=O)O 30621 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.13 CC(C)(CN)C(=O)O D76726 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.13 CCC(C)(C)[S@@](N)=O 97000 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.13 CCC(C)(C)[S@@](N)=O 97001 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.13 COC(C)(C)C(N)=O Y13489 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.13 NCC(F)(F)C(=O)O 51202 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.15 CCN(CC)C(=O)Cl F20301 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.15 CC[C@H](NC)C(=O)O W18322 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [1,1,0,0,0,0|0,0,0]=2 221 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.4 CC(=O)OCCCBr C75766 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|0,0,0]=2 231 B7R0.4 CCNCCC(N)=O AT24732 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.4 CNCCCC(N)=O 21232 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|0,0,0]=2 234 B7R0.4 NCCNCC(=O)O FD21628 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.4 O=C([O-])COCCO A11454 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.6 CC(C)=CCC(=O)O 24307 [1,1,0,0,0,0|0,0,2]=4 237 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,1,0,0,0,0|0,0,1]=3 240 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.6 O=C(O)CCC(=O)O D85169 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.8 CNCCS(=O)(=O)O A10810 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.8 O=P(O)(O)CCCBr T70133 [1,1,0,0,0,0|2,0,0]=4 245 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,1,0,0,0,1|1,0,0]=3 246 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,1,0,0,0,1|1,0,0]=3 247 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,1,0,0,0,1|1,0,0]=3 248 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,1,0,0,0,1|1,0,0]=3 249 B9R0.14 CCC[C@H](CC)OC(=O)Cl S11051 [0,1,0,0,0,1|1,0,0]=3 250 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,1,0,0,0,1|1,0,0]=3 251 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,1,0,0,0,1|1,0,0]=3 252 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,1,0,0,0,1|1,0,0]=3 253 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,1,0,0,0,1|1,0,0]=3 254 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,1,0,0,0,1|1,0,0]=3 255 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,1|1,0,0]=3 256 B9R0.58 CCC[C@](C)(O)CC(=O)O A10594 [0,1,0,0,0,1|0,0,0]=2 257 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl D83266 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.28 COC(=O)C(C)(C)C(=O)O O11027 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O FD21799 [0,2,0,0,0,0|0,0,0]=2 260 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,2,0,0,0,0|1,0,0]=3 262 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.8 CNC(=O)[C@@H](Br)CCCBr AC6474 [0,2,0,0,0,0|2,0,0]=4 264 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,2,0,0,0,0|2,0,0]=4 265 B9R0.60 C=CCC(C)(C)C(=O)OC 87418 [0,2,0,0,0,0|0,0,2]=4 266 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.7 C[C@H](NCC(=O)O)C(=O)O S10702 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,2,0,0,0,0|0,0,0]=2 273 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,2,0,0,0,0|0,0,0]=2 274 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,2,0,0,0,0|0,0,1]=3 275 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O T70135 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.47 C#CCSC[C@H](N)C(=O)O 30409 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [0,2,0,0,0,0|0,0,1]=3 285 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.11 CC(=O)NC(C)(C)C(=O)O W18578 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.74 CCC[C@](C)(CC)C(=O)O 27935 [0,2,0,0,0,0|0,0,0]=2 289 B9R0.15 C=CCC(CC=C)C(=O)O F19223 [0,2,0,0,0,0|0,0,2]=4 290 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.15 CCCC(CCC)C(N)=O A12328 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.33 CCCC(C(=O)O)C(=O)O O10851 [0,2,0,0,0,0|0,0,1]=3 293 B9R0.39 CC[C@H](NC(C)=O)C(=O)O 73327 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C75133 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O D94816 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O F20568 [0,2,0,0,0,0|2,0,0]=4 298 B9R0.57 O=C(O)[C@@H](O)CC(F)(F)F AB10170 [0,2,0,0,0,0|2,0,0]=4 299 B7R1.1 C=CC1CCCC1 T72385 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.1 NCC1CCCC1 P10292 [1,0,0,1,0,0|1,0,1]=4 301 B7R1.1 NNC1CCCC1 BL010355 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.1 NOC1CCCC1 97655 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,2]=4 304 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,0,1]=3 321 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,0,1]=3 323 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.6 CCNC1COC1 32797 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.6 CNCC1COC1 32854 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.6 NCCC1COC1 85783 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.6 OCCC1COC1 32759 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.9 NCC1CC1CO C14991 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.10 CC1CC(CN)C1 72944 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.10 CN1CC(CO)C1 P17862 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.10 CNC1CC(C)C1 72947 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.10 OCC1CC(F)C1 72453 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.10 OCC1CC(O)C1 N10548 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.22 N[C@@H](CO)C1CC1 N11217 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.22 N[C@@H](CO)C1CC1 P18914 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.25 CC1(CO)CCC1 90942 [1,0,0,1,0,0|0,0,1]=3 352 B7R1.25 CC1(CO)CNC1 73126 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.25 C[C@]1(CO)CCN1 P18401 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.25 NC1(CO)CCC1 P11244 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.25 OCC1(F)CCC1 85746 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.25 OCC1(O)CCC1 AT20135 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|0,0,0]=2 358 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|0,0,0]=2 359 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|0,0,2]=4 366 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.18 O=[N+]([O-])C1CCC1 30647 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.19 NC(=O)C1(Br)CC1 D85812 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.19 NC(=O)C1(N)CC1 72646 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.19 NC(=O)C1(N)CC1 P15295 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,0,0]=3 377 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,0,1,0,1|0,0,0]=2 378 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,1|1,0,0]=3 379 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [0,0,0,1,0,1|2,0,0]=4 380 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,0,0,1,0,1|2,0,0]=4 381 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [0,0,0,1,0,1|2,0,0]=4 382 B9R1.13 NC(=O)NC1CCCC1 W17339 [0,0,0,1,0,1|1,0,0]=3 383 B9R1.13 NC(=S)NC1CCCC1 D85797 [0,0,0,1,0,1|1,1,0]=4 384 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,0,0,1,0,1|1,0,0]=3 385 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,0,0,1,0,1|1,0,0]=3 386 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,0,0,1,0,1|1,0,0]=3 387 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,0,0,1,0,1|1,0,0]=3 388 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,0,0,1,0,1|1,0,0]=3 391 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,0,0,1,0,1|1,0,0]=3 392 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,0,0,1,0,1|2,0,0]=4 393 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,0,0,1,0,1|2,0,0]=4 394 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,0,0,1,0,1|1,0,1]=4 395 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [0,0,0,1,0,1|2,0,0]=4 397 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,0,0,1,0,1|1,0,0]=3 400 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,0,0,1,0,1|1,0,0]=3 401 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.41 O=C(O)C1CNCC1O 73173 [0,0,0,1,0,1|2,0,0]=4 403 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,0,0,1,0,1|2,0,0]=4 404 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,0,0,1,0,1|2,0,0]=4 405 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,0,0,1,0,1|2,0,0]=4 406 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,0,0,1,0,1|2,0,0]=4 407 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,1,0,1|2,0,0]=4 408 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,1|1,0,0]=3 409 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,1,0,1|2,0,0]=4 410 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,1,0,1|2,0,0]=4 411 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,1|0,0,0]=2 412 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,0,1,0,1|1,0,0]=3 413 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,0,1,0,1|1,0,0]=3 414 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,0,1,0,1|1,0,0]=3 415 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,0,1,0,1|1,0,1]=4 416 B9R1.59 CCOC1CC1C(=O)O C77470 [0,0,0,1,0,1|1,0,0]=3 417 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,0,1,0,1|0,0,0]=2 418 B9R1.171 CC1(CC(=O)[O-])COC1 66390 [0,0,0,1,0,1|1,0,1]=4 419 B9R1.171 NC1(CC(=O)O)CCC1 P17679 [0,0,0,1,0,1|1,0,0]=3 420 B9R1.171 O=C(O)CC1(F)COC1 D84906 [0,0,0,1,0,1|2,0,0]=4 421 B9R1.171 O=C(O)CC1(O)CCC1 72507 [0,0,0,1,0,1|1,0,0]=3 422 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.101 CN(C(=O)CBr)C1CC1 72634 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.101 COC(=O)[C@@H](N)C1CC1 C72534 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.101 COC(=O)[C@@H](N)C1CC1 W11640 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.110 CC(=O)N(C)C1CNC1 37722 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P15964 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.11 C#C[C@@H](O)C1CCCC1 AC1315 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.11 CNC(=O)[C@H]1CCNC1 C77874 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.11 NNC(=O)[C@H]1CCOC1 28802 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.33 NCCN1CCOC1=O C13660 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,1,0,0|0,0,0]=2 473 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.88 COC(=O)C1CC1CN P14227 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.186 COC(=O)C1(C)CNC1 87434 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.186 COC(=O)C1(C)COC1 C72056 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.186 COC(=O)C1(F)CNC1 38734 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.186 COC(=O)C1(N)COC1 28015 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.186 COC(=O)C1(O)CCC1 F53397 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.186 COC(=O)[C@]1(C)CCN1 P12463 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.6 N=C(N)C1CCOCC1 38314 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.6 N=C(N)C1CCOCC1 P11933 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,1,0,1,0,0|0,0,2]=4 495 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,1,0,0|0,0,0]=2 496 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,1,0,1,0,0|0,0,0]=2 498 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,1,0,1,0,0|0,0,0]=2 499 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,1,0,0|0,0,0]=2 512 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.6 O=[N+]([O-])C1CCNCC1 P21112 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,1,0,1,0,0|0,0,0]=2 520 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,1,0,1,0,0|0,0,2]=4 527 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,1,0,1,0,0|0,0,2]=4 528 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,1,0,1,0,0|0,0,0]=2 530 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,1,0,1,0,0|0,0,0]=2 531 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,1,0,1,0,0|0,0,0]=2 532 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.40 CC1(C)CCCNC1=O P19113 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,1,0,0|0,0,0]=2 543 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.40 O=C1NCCCC1(F)F 50284 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.95 CC(=O)N1CC(CO)C1 21091 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,1,0,0|0,0,0]=2 547 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,1,0,1,0,0|0,0,0]=2 548 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,1,0,1,0,0|0,0,0]=2 549 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,1,0,1,0,0|0,0,0]=2 550 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,1,0,1,0,0|0,0,0]=2 551 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,1,0,1,0,0|0,0,0]=2 552 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,1,0,1,0,0|0,0,0]=2 553 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,1,0,1,0,0|0,0,0]=2 554 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,1,0,1,0,0|0,0,0]=2 560 B9R1.163 CC1(C(N)=O)CSSC1 C11955 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [0,1,0,1,0,0|0,0,0]=2 566 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,1,0,1,0,0|0,0,0]=2 572 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,1,0,1,0,0|0,0,1]=3 573 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,1,0,1,0,0|0,0,2]=4 574 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,1,0,1,0,0|0,0,1]=3 575 B9R1.152 NC1(C(=O)O)CC(F)C1 P12535 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.179 C=CCC1(C(=O)O)CC1 P17143 [0,1,0,1,0,0|0,0,2]=4 577 B9R1.179 CCOC1(C(=O)O)CC1 55707 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.179 COCC1(C(=O)O)CC1 P15888 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.179 NCCC1(C(=O)O)CC1 P15280 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.179 NCCC1(C(=O)O)CC1 P16475 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.179 O=C(O)C1(CCCl)CC1 P17144 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.19 O=S(=O)(O)C1CCCC1 P15473 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.119 CCC1(C(=O)O)CCC1 72573 [0,1,0,1,0,0|0,0,0]=2 584 B9R1.119 CC[C@@]1(C(=O)O)CCO1 P18489 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.119 COC1(C(=O)O)CNC1 38963 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.119 N#CC1(C(=O)O)CCC1 P17752 [0,1,0,1,0,0|0,0,1]=3 587 B9R1.119 O=C(O)C1(CBr)COC1 W10206 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.119 O=C(O)C1(CO)CCC1 F31332 [0,1,0,1,0,0|0,0,0]=2 589 B9R1.161 NC(=O)C1CC1C(=O)O P15335 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O I10810 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P15610 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O P15780 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.164 CC(=O)C1CC(F)(F)C1 P15881 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,1,0,0|0,0,2]=4 595 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,1,0,1,0,0|0,0,0]=2 596 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,1,0,1,0,0|0,0,0]=2 597 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,1,0,1,0,0|0,0,0]=2 598 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,1,0,1,0,0|0,0,0]=2 599 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,2,0,0|1,0,1]=4 600 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|2,0,0]=4 601 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,2,0,0|1,0,0]=3 602 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,2,0,0|1,0,0]=3 603 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,2,0,0|1,0,0]=3 604 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,2,0,0|1,0,0]=3 605 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|1,0,1]=4 606 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|1,0,0]=3 607 B9R2.145 O=C(O)C12CC(C1)C2 P12599 [0,0,0,2,0,0|0,0,0]=2 608 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|0,0,0]=2