0 B7R0.2 CCC(CC(=O)O)N AB01525 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 B(CC(C)C)(O)O AB03722 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.2 CC(C)CC(=N)N AB60903 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(C)CC(=S)N AB52630 [1,0,0,0,0,0|1,1,0]=3 5 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 C#CCCC(=O)O CB10019 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.4 C=C(CCCCl)I MB13670 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.34 CC(=O)OC(C)(C)CO AB53345 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.1 C1C(CNC1=O)CN PB10686 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.1 C1C(CNC1=O)CO PB26709 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.1 C1CC(=O)NC1CN AB28123 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 CN1CCCC(C1)O PB17042 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.34 C1C(CO1)C[N+](=O)[O-] AB65636 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.34 CC(=O)NC1CNC1 PB23547 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.34 CC(=O)SC1CNC1 PB19657 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.53 CC1(CC(C1)CN)O PB37939 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.53 C[C@]1(C[C@@H](C1)CN)O PB39234 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.53 C[C@]1(C[C@H](C1)CN)O PB37961 [0,0,0,1,0,0|2,0,1]=4 56 B6R0.3 B(C(C)CC)(O)O AB25482 [0,0,0,0,1,0|1,0,1]=3 57 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,0,0,0,1,0|2,0,0]=3 58 B6R0.3 CC(CN)C(=O)O AB00933 [0,0,0,0,1,0|1,0,0]=2 59 B6R0.3 CCC(C(=O)O)N AB00928 [0,0,0,0,1,0|1,0,0]=2 60 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,0,0,0,1,0|2,0,0]=3 61 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,0,0,0,1,0|1,0,0]=2 62 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,0,0,0,1,0|1,0,0]=2 63 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CC(C)N=C=O AB00193 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.3 C[C@@H](CO)NC AB31545 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.5 CC(C)C(CCO)N AB31007 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.11 CCC(C)(C)N=C=O AB71532 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.9 B(CC(C)(C)C)(O)O AB51406 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.9 CC(C)(C)OC(=O)N PB11584 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.9 CC(C)CS(=O)(=O)Cl AB32247 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [1,1,0,0,0,0|0,0,0]=2 76 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,1,0,0,1,0|2,0,0]=4 80 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,1,0,0,1,0|1,0,0]=3 81 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,1,0,0,1,0|0,0,0]=2 82 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,1,0,0,1,0|0,0,0]=2 83 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,1,0,0,1,0|1,0,0]=3 84 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,1,0,0,1,0|1,0,0]=3 85 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,1,0,0,1,0|1,0,0]=3 86 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,1,0,0,1,0|1,0,0]=3 87 B7R0.15 CCC(CN)C(=O)O AB62466 [0,1,0,0,1,0|0,0,0]=2 88 B9R0.43 CC(=O)NCC(OC)OC AB63165 [0,1,0,0,0,1|2,0,0]=4 89 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,2,0,0,0,0|1,0,0]=3 90 B9R0.10 C([C@@H](C(F)(F)F)N)C(=O)O AB68464 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.10 C([C@H](C(F)(F)F)N)C(=O)O AB68465 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N AB04906 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N AB03942 [0,2,0,0,0,0|1,0,1]=4 94 B7R1.1 C1C=CCC1CBr AB76476 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 C1C=CCC1CO PB12789 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 C1COCC1CBr PB10518 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.1 C1COCC1CCl MB04735 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.1 C1COCC1CI PB23453 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.1 C1COCC1CN PB10526 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.1 C1COC[C@@H]1CN PB15453 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.1 C1COC[C@H]1CN PB18204 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.1 CNC1CCOC1 PB17482 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.1 CN[C@@H]1CCOC1 PB30485 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.1 CN[C@H]1CCOC1 PB11771 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 C1CC(CC1N)O PB13684 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.2 CN1CCC(C1)O PB32059 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.2 CN1CC[C@H](C1)O PB17320 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 C1COCCC1Br PB24975 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.3 C1COCCC1I PB13042 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.3 C1COCCC1N AB11128 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.3 C1COCCC1N PB27421 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.3 C1COCCC1O PB11583 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.6 C1C(CO1)CC=O PB14037 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.6 C1CC(C1)CC=O AB49507 [1,0,0,1,0,0|0,0,0]=2 131 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.6 C1CC(C1)N=C=O AB55242 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.10 C1C(CC1=O)C#N PB12223 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.10 C1C(CC1=O)CBr PB27115 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.10 C1C(CC1=O)CCl PB28331 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.10 C1C(CC1=O)CN PB21511 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.10 C1C(CC1=O)CO PB17805 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.10 C1C(CC1O)CN PB13605 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.10 CCN1CC(C1)O PB27080 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.10 CNC1CC(C1)O PB36492 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|0,0,0]=2 151 B7R1.18 B(C1CCC1)(O)O AB29820 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.18 C1CC(C1)C(=N)N PB21224 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|1,0,0]=3 163 B7R1.18 CC(C1CCC1)O CB10183 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,0,0,1,1,0|1,0,0]=3 165 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,0,0,1,0,1|1,0,1]=4 166 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,0,0,1,0,1|1,0,1]=4 167 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,0,0,1,0,1|1,0,1]=4 168 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,1|1,0,0]=3 169 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,1|1,0,0]=3 170 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,1|1,0,0]=3 171 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,1|1,0,0]=3 172 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,1,0,1|2,0,0]=4 173 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,1,0,1|2,0,0]=4 174 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,1,0,1|2,0,0]=4 175 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,1,0,1|2,0,0]=4 176 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,1,0,1|2,0,0]=4 177 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,1,0,1|2,0,0]=4 178 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,1,0,1|2,0,0]=4 179 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,1,0,1|2,0,0]=4 180 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,1|2,0,0]=4 181 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,1|1,0,0]=3 184 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,1|1,0,0]=3 185 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,1|1,0,0]=3 186 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,1|1,0,0]=3 187 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,1|0,0,0]=2 188 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,1|1,0,0]=3 189 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,1|0,0,0]=2 190 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,1|1,0,0]=3 191 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,1|2,0,0]=4 192 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,0,0,1,0,1|1,0,0]=3 193 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,0,0,1,0,1|1,0,0]=3 194 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,0,0,1,0,1|1,0,0]=3 195 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,0,0,1,0,1|1,0,0]=3 196 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,0,0,1,0,1|1,0,0]=3 197 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,1,0,1,0,0|1,0,0]=3 202 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,1,0,0|0,0,0]=2 203 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,1,0,0|0,0,0]=2 204 B9R1.96 C1CN([C@@H]1C(=O)O)N=O MB03151 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,1,0,1,0,0|0,0,0]=2 209 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,1,0,1,0,0|0,0,0]=2 210 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,1,0,1,0,0|0,0,0]=2 211 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,1,0,1,0,0|0,0,0]=2 213 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,1,0,1,0,0|0,0,0]=2 214 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,1,0,1,0,0|0,0,0]=2 215 B9R1.13 C1COCC1CC(=O)O CB10890 [0,1,0,1,0,0|0,0,0]=2 216 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,1,0,1,0,0|0,0,0]=2 217 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,1,0,1,0,0|0,0,0]=2 218 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.34 CC1CC(CC(N1)C)O MB01439 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,1,0,1,0,0|0,0,0]=2 222 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,1,0,1,0,0|0,0,0]=2 223 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,1,0,1,0,0|0,0,0]=2 224 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.137 C1CC1C(CC(=O)O)N AB10167 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.137 C1CC1[C@@H](CC(=O)O)N AB36095 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.137 C1CC1[C@H](CC(=O)O)N AB23543 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.171 CC1(COC1)CC(=O)O PB21034 [0,1,0,1,0,0|0,0,0]=2 229 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.23 CN1CC(CC1=O)CN PB25187 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.79 COC(=O)CC1CNC1 PB34937 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.79 COC(=O)CC1COC1 PB11364 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.170 C1C(C1(F)F)CC(=O)O AB76278 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.114 C1CC(C1)CS(=O)(=O)Cl AB70722 [0,1,0,1,0,0|1,0,1]=4 239 B9R2.138 C1C(=O)CC12COC2 PB24493 [0,0,0,2,0,0|2,0,0]=4 240 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|0,0,0]=2 241 B5R0.5 B(C(C)C)(O)O AB08847 [1,0,0,0,1,0|1,0,1]=4 242 B5R0.5 CC(C(=O)N)N AB43014 [1,0,0,0,1,0|2,0,0]=4 243 B5R0.5 CC(C)C(=N)N AB07702 [1,0,0,0,1,0|2,0,0]=4 244 B5R0.5 CC(C)C(=S)N AB32169 [1,0,0,0,1,0|1,1,0]=4 245 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,0,0,0,1,0|1,0,0]=3 246 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,0,0,0,1,0|1,0,0]=3