0 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,0,0,0|0,1,0]=1 11 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,0,0,0,0,0|0,0,2]=2 18 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.1 C1[C@@H](CN[C@@H]1C#N)F AB39350 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 B(C1CCCC1)(O)O AB08034 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.7 C1CC(NC1)C(F)F AB85539 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 C1CNCC1C(=O)N PB11736 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 C1CNCC1C(=O)N PB32691 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,0,0,0|0,0,0]=1 48 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.14 CN1CCC(C1)C(=O)OC AB65288 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F AB39258 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F AB29326 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,1,0,0,0,0|1,0,2]=4 59 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.359 C1CC(CC1C(=O)O)(F)F PB33240 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F PB37611 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F PB33719 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.359 C1[C@@H](NCC1(F)F)C(=O)O PB38232 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB27295 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB34534 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,0,1,0,0,0|1,0,2]=4 68 B10R2.348 C1[C@]2(NC[C@@H]1C2)C(=O)O PB25057 [0,0,0,1,0,0|1,0,0]=2 69 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,1,0,0|1,0,0]=2 70 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,1,0,0|2,0,0]=3 71 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,0,0,0,1,0|0,0,2]=3 73 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,0,0,1,0|1,0,0]=2 74 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,0,0,1,0|1,0,0]=2 75 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,0,1,0|0,0,0]=1 76 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,0,0,1,0|1,0,0]=2 77 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,0,0,1,0|1,0,0]=2 78 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,0,1,0|0,0,0]=1 79 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,0,0,1,0|1,0,0]=2 80 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,0,0,1,0|1,0,0]=2 81 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,0,1,0|0,0,2]=3 82 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,0,1,0|0,0,2]=3 83 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,0,0,0,1,0|1,0,1]=3 84 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,0,0,1,0|2,0,0]=3 86 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,0,1,0|1,0,0]=2 87 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,0,1,0|2,0,0]=3 88 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,0,1,0|1,0,0]=2 89 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,0,1,0|1,0,0]=2 90 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,0,1,0|3,0,0]=4 91 B10R1.13 C1C(NCC(=O)N1)C(=O)O AB61601 [0,0,0,0,0,1|0,0,2]=3 92 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,0,0,0,0,1|1,0,2]=4 93 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,0,0,0,0,1|1,0,2]=4 94 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,0,0,0,0,1|0,0,0]=1 96 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O AB61607 [0,0,0,0,0,1|0,0,2]=3 99 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O AB61603 [0,0,0,0,0,1|0,0,2]=3 100 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O PB32133 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.113 C1C(NC(=O)CN1)C(=O)O AB61614 [0,0,0,0,0,1|1,0,2]=4 110 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,0,0,0,0,1|1,0,2]=4 111 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,0,0,0,0,1|0,0,0]=1 112 B10R1.113 C1[C@@H](NC(=O)CN1)C(=O)O AB61619 [0,0,0,0,0,1|1,0,2]=4 113 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O AB61618 [0,0,0,0,0,1|1,0,2]=4 114 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,0,0,0,0,1|1,0,0]=2 118 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,0,0,0,0,1|1,0,0]=2 119 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,1,0,0,0|0,0,0]=2 120 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,1,0,0,0|0,0,0]=2 121 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,0,1,0,0,0|1,0,0]=3 122 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,0,1,0,0,0|1,0,0]=3 123 B7R0.15 CCC(CN)C(=O)O AB62466 [1,0,1,0,0,0|2,0,0]=4 124 B7R1.1 C1CC(NC1)C#N PB19916 [2,0,0,0,0,0|1,0,1]=4 125 B7R1.1 C1CCC(C1)C=O AB02400 [2,0,0,0,0,0|1,0,0]=3 126 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [2,0,0,0,0,0|1,0,1]=4 127 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [2,0,0,0,0,0|1,0,1]=4 128 B7R1.1 C1C[C@@H](NC1)CO PB21663 [2,0,0,0,0,0|0,0,1]=3 129 B7R1.1 C1C[C@H](NC1)C#N PB29383 [2,0,0,0,0,0|1,0,1]=4 130 B7R1.1 C1C[C@H](NC1)CF PB15907 [2,0,0,0,0,0|1,0,1]=4 131 B7R1.1 C1C[C@H](NC1)CN PB13488 [2,0,0,0,0,0|1,0,1]=4 132 B7R1.1 C1C[C@H](NC1)CO PB30520 [2,0,0,0,0,0|0,0,1]=3 133 B7R1.1 CCC1CCCN1 AB12042 [2,0,0,0,0,0|1,0,1]=4 134 B7R1.2 C1C(CNC1=O)N PB17844 [2,0,0,0,0,0|1,0,1]=4 135 B7R1.2 C1CC(CC1N)O PB13684 [2,0,0,0,0,0|2,0,0]=4 136 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [2,0,0,0,0,0|2,0,0]=4 137 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [2,0,0,0,0,0|2,0,0]=4 138 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [2,0,0,0,0,0|2,0,0]=4 139 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [2,0,0,0,0,0|0,0,1]=3 140 B7R1.2 C1[C@H](CNC1=O)O AB05836 [2,0,0,0,0,0|0,0,1]=3 141 B7R1.2 C1[C@H](CNC1=O)S PB29198 [2,0,0,0,0,0|0,1,1]=4 142 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,1,1,0,0,0|1,0,0]=3 143 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,1,1,0,0,0|1,0,0]=3 144 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N AB04906 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N AB03942 [0,1,1,0,0,0|1,0,1]=4 146 B9R0.57 C([C@@H](C(=O)O)N)C(F)(F)F AB71803 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.57 C([C@H](C(=O)O)N)C(F)(F)F AB68601 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,1,0,0,0|1,0,0]=3 149 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,1,0,0,0|1,0,0]=3 150 B9R1.22 CN1C[C@@H](C[C@H]1CO)O CB11642 [1,1,0,0,0,0|0,0,1]=3 151 B9R1.133 C1[C@@H](NCC1(F)F)CO PB35307 [1,1,0,0,0,0|1,0,1]=4 152 B9R1.133 C1[C@H](NCC1(F)F)CO PB35742 [1,1,0,0,0,0|1,0,1]=4 153 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.11 COC(=O)C1CCNC1 PB20842 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.11 COC(=O)C1CCOC1 PB14439 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [1,1,0,0,0,0|0,0,0]=2 157 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [1,1,0,0,0,0|0,0,0]=2 163 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [1,1,0,0,0,0|0,0,0]=2 167 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [1,1,0,0,0,0|0,0,0]=2 168 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.163 C1COCC1(C(=O)O)N PB18879 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [1,1,0,0,0,0|1,0,0]=3 174 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [1,1,0,0,0,0|0,0,0]=2 176 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [1,1,0,0,0,0|0,0,0]=2 177 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,0,1,0|1,0,1]=4 178 B9R1.82 COC(=O)C1CC(=O)C1 PB32215 [0,1,0,0,1,0|0,0,2]=4 179 B9R1.82 COC(=O)C1CC(C1)Cl PB19451 [0,1,0,0,1,0|1,0,0]=3 180 B9R1.82 COC(=O)C1CC(C1)O PB33903 [0,1,0,0,1,0|0,0,0]=2 181 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N PB33409 [0,1,0,0,1,0|1,0,0]=3 182 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O PB11695 [0,1,0,0,1,0|0,0,0]=2 183 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N PB13348 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O PB16819 [0,1,0,0,1,0|0,0,0]=2 185 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,1,0,0,1,0|1,0,0]=3 186 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,1,0,0,1,0|0,0,0]=2 187 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,1,0,0,1,0|0,0,0]=2 188 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,1,0,0,1,0|0,0,0]=2 189 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,1,0,0,1,0|0,0,0]=2 190 B9R1.152 C1C(CC1(C(=O)O)N)F PB22992 [0,1,0,0,1,0|1,0,0]=3 191 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O PB35852 [0,1,0,0,1,0|1,0,0]=3 192 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O PB37744 [0,1,0,0,1,0|1,0,0]=3 193 B9R1.152 CC1(CC(=C)C1)C(=O)O PB34988 [0,1,0,0,1,0|1,0,1]=4 194 B9R1.152 CC1(CC(=O)C1)C(=O)O PB12182 [0,1,0,0,1,0|0,0,2]=4 195 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O PB35318 [0,1,0,0,1,0|1,0,0]=3 196 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O PB25823 [0,1,0,0,1,0|1,0,0]=3 197 B9R1.164 C1C(CC1(F)F)C(=O)O PB29564 [0,1,0,0,1,0|1,0,0]=3 198 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,1,0,0,1,0|1,0,0]=3 199 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,1,0,0,1,0|0,0,0]=2 200 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,1,0,0,1,0|0,0,0]=2 201 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,1,0,0,1,0|0,0,0]=2 202 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O AB08223 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O PB13872 [0,1,0,0,0,1|0,0,0]=2 204 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 AB66815 [0,1,0,0,0,1|0,0,2]=4 205 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N PB17505 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N PB31055 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC PB35041 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.220 CC1CCC(CC1)(C(=O)O)N AB12005 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.727 C1CC(CCC1C(=O)O)(F)F PB26085 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.727 C1CC(CNC1C(=O)O)(F)F PB34950 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.645 C1[C@@H](CN(C1=O)CC(=O)O)O AB22851 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O AB23024 [0,1,0,0,0,1|0,0,0]=2 213 B11R1.23 C[C@@H]1C[C@@H](CCN1)C(=O)OC PB36721 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.167 C1CC(C(CC1O)C(=O)O)O AB24893 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.266 COC1CCNC(C1)C(=O)O AB30377 [0,1,0,0,0,1|0,0,0]=2 216 B11R1.866 COC(=O)C1CCC(C1)(F)F PB28917 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.866 COC(=O)[C@@H]1CC(CN1)(F)F PB25824 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.866 COC(=O)[C@@H]1CC(CN1)(F)F PB37209 [0,2,0,0,0,0|1,0,0]=3 219 B11R1.866 COC(=O)[C@@H]1CCC(C1)(F)F PB35261 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.866 COC(=O)[C@H]1CC(CN1)(F)F PB37283 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.866 COC(=O)[C@H]1CCC(C1)(F)F PB37661 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.738 C[C@]1(CC(CN1)(F)F)C(=O)O PB38443 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,1,1,0,0|1,0,0]=3 224 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,1,1,0,0|1,1,0]=4 225 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,1,1,0,0|2,0,0]=4 226 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,1,1,0,0|1,0,0]=3 227 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,1,1,0,0|1,0,0]=3 228 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,1,1,0,0|1,0,0]=3 229 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,1,1,0,0|1,0,0]=3 230 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,1,1,0,0|1,0,0]=3 231 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,1,1,0,0|1,0,0]=3 232 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,1,1,0,0|2,0,0]=4 233 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,1,1,0,0|0,0,0]=2 234 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,1,1,0,0|0,0,0]=2 235 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,1,1,0,0|0,0,0]=2 236 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,1,1,0,0|2,0,0]=4 237 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,1,1,0,0|2,0,0]=4 238 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,1,1,0,0|0,1,0]=3 239 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,1,1,0,0|0,1,0]=3 240 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,1,1,0,0|2,0,0]=4 241 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,1,1,0,0|2,0,0]=4 242 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,0,1,1,0,0|2,0,0]=4 243 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,0,1,1,0,0|2,0,0]=4 244 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,0,1,1,0,0|2,0,0]=4 245 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,0,1,1,0,0|2,0,0]=4 246 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,0,1,1,0,0|2,0,0]=4 247 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,0,1,1,0,0|2,0,0]=4 248 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,0,1,1,0,0|2,0,0]=4 249 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,0,1,1,0,0|2,0,0]=4 250 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [1,0,0,1,0,0|1,0,1]=4 251 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [1,0,0,1,0,0|1,0,1]=4 252 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO PB13645 [1,0,0,1,0,0|1,0,1]=4 253 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,1,1,0|2,0,0]=4 254 B11R2.845 C1CC2CC1C(N2)C(=O)O PB34219 [0,0,0,1,0,1|2,0,0]=4 255 B11R2.845 C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O PB10554 [0,0,0,1,0,1|2,0,0]=4 256 B11R2.845 C1C[C@H]2C[C@@H]1[C@@H](N2)C(=O)O PB35844 [0,0,0,1,0,1|2,0,0]=4 257 B11R2.1826 C1CNC2(CC1C2)C(=O)O PB11394 [0,0,0,1,0,1|1,0,0]=3 258 B11R2.1826 C1CNC2(CC1C2)C(=O)O PB37906 [0,0,0,1,0,1|1,0,0]=3 259 B11R2.901 COC(=O)C12CC(C1)CN2 PB39107 [0,1,0,1,0,0|1,0,0]=3 260 B11R2.911 COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1 PB35696 [0,1,0,1,0,0|1,0,0]=3 261 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,1,0,1,0|1,0,0]=3 262 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,1,0,1,0|1,0,0]=3 263 B7R1.10 C1C(CC1Cl)CO PB34804 [1,0,0,0,1,0|1,0,1]=4 264 B7R1.10 C1C(CC1N)CO PB17688 [1,0,0,0,1,0|1,0,1]=4 265 B7R1.10 C1C(CC1N)CO PB21400 [1,0,0,0,1,0|1,0,1]=4 266 B7R1.10 C1C(CC1O)CN PB13605 [1,0,0,0,1,0|1,0,1]=4 267 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [1,0,0,0,1,0|1,0,1]=4 268 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [1,0,0,0,1,0|1,0,1]=4 269 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [1,0,0,0,1,0|1,0,1]=4 270 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [1,0,0,0,1,0|1,0,1]=4 271 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [1,0,0,0,1,0|1,0,1]=4 272 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [1,0,0,0,1,0|1,0,1]=4 273 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [1,0,0,0,1,0|1,0,1]=4 274 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [1,0,0,0,1,0|1,0,1]=4 275 B7R1.10 CNC1CC(C1)O PB36492 [1,0,0,0,1,0|2,0,0]=4 276 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [1,0,0,0,1,0|2,0,0]=4 277 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [1,0,0,0,1,0|2,0,0]=4 278 B7R1.18 B(C1CCC1)(O)O AB29820 [1,0,0,0,1,0|1,0,1]=4 279 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,0,1,0|2,0,0]=4 280 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,0,1,0|2,0,0]=4 281 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,0,1,0|1,0,0]=3 282 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,0,1,0|1,0,0]=3 283 B7R1.18 C1CC(C1)C(=N)N PB21224 [1,0,0,0,1,0|2,0,0]=4 284 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [1,0,0,0,1,0|1,0,1]=4 285 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,0,1,0|1,0,0]=3 286 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,0,1,0|1,0,0]=3 287 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,0,1,0|0,0,0]=2 288 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,0,1,0|0,0,0]=2 289 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,0,1,0|1,0,0]=3 290 B7R1.18 CC(C1CCC1)O CB10183 [1,0,0,0,1,0|1,0,1]=4 291 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,0,2,0|1,0,0]=3 292 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,0,0,2,0|2,0,0]=4 293 B9R1.13 C1CNCC1CC(=O)O PB14239 [1,0,0,0,0,1|2,0,0]=4 294 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [1,0,0,0,0,1|2,0,0]=4 295 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [1,0,0,0,0,1|2,0,0]=4 296 B9R1.13 C1COCC1CC(=O)O CB10890 [1,0,0,0,0,1|2,0,0]=4 297 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [1,0,0,0,0,1|0,0,0]=2 298 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [1,0,0,0,0,1|0,0,0]=2 299 B11R1.20 C1C(NCC(=O)N1)CC(=O)O AB61630 [0,0,0,0,0,2|0,0,2]=4 300 B11R1.20 C1[C@@H](NCC(=O)N1)CC(=O)O AB61635 [0,0,0,0,0,2|0,0,2]=4 301 B11R1.20 C1[C@H](NCC(=O)N1)CC(=O)O AB61634 [0,0,0,0,0,2|0,0,2]=4