0 B14R1.160 C1=CC=C(C(=C1)C(=O)NCC(=O)O)I I157449 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.160 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O H184739 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O I157509 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O M134966 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.45 C1=CC(=CN=C1)C(=O)CCC(=O)O P354094 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.45 C1=CC(=CN=C1)C(=O)NCC(=O)O N159838 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.45 C1=CC=C(C=C1)C(=O)CCC(=O)O B152637 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100064 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100065 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H424276 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M414408 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M424823 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] B300718 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] S104429 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.45 C1=CC=C(C=C1)C(=S)SCC(=O)O S101895 [1,0,0,0,0,0|1,1,0]=3 15 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 A138520 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 D154638 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.674 C1=CC=C(C(=C1)C(=O)OCCO)O E102775 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.674 CCCOC(=O)C1=CC=CC=C1O P160601 [1,0,0,0,0,0|2,0,1]=4 19 B15R1.5793 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N L423034 [0,1,0,0,0,0|1,0,0]=2 20 B15R1.5793 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N R134932 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.5793 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N S138168 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.5793 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N S138616 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.5793 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N S167670 [0,1,0,0,0,0|1,0,0]=2 24 B15R1.5822 C1=CC(=C(C=C1F)F)C(=O)CCC(=O)O D155679 [0,1,0,0,0,0|1,0,0]=2 25 B15R1.8420 C1=CC(=C(C=C1O)C(=O)NCC(=O)O)O G156800 [0,1,0,0,0,0|1,0,0]=2 26 B15R2.6 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O I103959 [0,0,0,1,0,0|2,0,0]=3 27 B15R2.6 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O I426148 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C21 H467329 [0,0,0,1,0,0|3,0,0]=4 29 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O K120012 [0,0,0,1,0,0|1,0,2]=4 30 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O B106850 [0,0,0,1,0,0|0,0,2]=3 31 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O C424265 [0,0,0,1,0,0|0,0,2]=3 32 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O I304809 [0,0,0,0,0,1|2,0,1]=4 33 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 A151101 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.30 CCCCC(=O)C1=CC=CC=C1 V107009 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [2,0,0,0,0,0|0,0,1]=3 36 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [2,0,0,0,0,0|0,0,1]=3 37 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [2,0,0,0,0,0|0,0,1]=3 38 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.308 C1=CC=C(C(=C1)C(=O)CCN)N K350361 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.308 CCCC(=O)C1=CC=CC=C1O H192549 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.308 CCOC(=O)C1=CC=CC=C1O E103924 [2,0,0,0,0,0|1,0,1]=4 46 B14R1.149 C1=CC(=CC(=C1)O)C(=O)NCC(=O)O H305099 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(=O)O N159221 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 M158344 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.415 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O B299981 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.415 CC(C(=O)O)NC(=O)C1=CC=CC=C1 B151909 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.415 CC(C(=O)O)NC(=O)C1=CC=CC=C1 B182862 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.678 C1=CC(=CC=C1C(=O)C=CC(=O)O)Cl I169351 [1,1,0,0,0,0|0,0,2]=4 53 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Br B152641 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Cl C153557 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)F F135480 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)F F404478 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)N A112651 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S347556 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.678 CC1=CC=C(C=C1)C(=O)C=CC(=O)O M168520 [1,1,0,0,0,0|0,0,2]=4 60 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O M158589 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O N159222 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.813 C1=CC=C(C=C1)P(=O)(CCC(=O)O)O C153464 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.813 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)O P474189 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O B112695 [1,1,0,0,0,0|1,0,1]=4 65 B16R1.11263 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N H168592 [0,2,0,0,0,0|1,0,0]=3 66 B14R1.4522 C1=CC=C(C(=C1)CCC(=O)O)C(=O)O C139262 [0,0,1,1,0,0|2,0,0]=4 67 B14R2.68 C1CC(=O)NN=C1C2=CC=CC=C2 D405725 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.779 C1C(CC1C(=O)O)C2=CC=CC=C2 P177089 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.768 C1=CC=C2C(=C1)C=C(O2)CC(=O)O B194238 [1,0,0,1,0,0|0,0,1]=3 70 B14R2.781 C1C(CNC2=CC=CC=C21)C(=O)O T586436 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.781 C1C(COC2=CC=CC=C21)C(=O)O D166145 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O B153003 [1,0,0,1,0,0|1,0,0]=3 73 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O T193795 [1,0,0,1,0,0|1,0,1]=4 74 B14R2.781 C1CC2=CC=CC=C2OC1C(=O)O C184937 [1,0,0,1,0,0|0,0,1]=3 75 B14R2.8051 C1=CC2=C(C(=O)C=CC2=O)C(=C1)O H136625 [1,0,0,1,0,0|0,0,2]=4 76 B14R2.8051 C1=CC2=C(C(=O)C=CC2=O)C(=C1)O H424179 [1,0,0,1,0,0|0,0,2]=4 77 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101072 [0,0,0,1,1,0|2,0,0]=4 78 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101073 [0,0,0,1,1,0|2,0,0]=4 79 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101074 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I426617 [0,0,0,1,1,0|2,0,0]=4 81 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I472129 [0,0,0,1,1,0|2,0,0]=4 82 B14R2.2 C1=CC=C2C(=C1)C(=CO2)CC(=O)O B194364 [0,0,0,1,1,0|1,0,0]=3 83 B14R2.2 C1=CC=C2C(=C1)C(=CS2)CC(=O)O B179488 [0,0,0,1,1,0|1,1,0]=4 84 B14R2.2 C1=CC=C2C(=C1)C(=NO2)CC(=O)O B136627 [0,0,0,1,1,0|1,0,0]=3 85 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O M137129 [0,0,0,1,1,0|1,0,1]=4 86 B16R2.477 C1=CC=C2C=C(C=CC2=C1)CCC(=O)O H588147 [0,0,0,1,0,1|2,0,0]=4 87 B16R2.3989 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)O O404823 [0,0,0,1,0,1|0,1,0]=3 88 B16R2.36 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O I108273 [0,0,0,1,0,1|2,0,0]=4 89 B16R2.36 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O I108274 [0,0,0,1,0,1|2,0,0]=4 90 B16R2.36 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O I421261 [0,0,0,1,0,1|2,0,0]=4 91 B16R2.16183 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O P140158 [0,1,0,1,0,0|1,0,1]=4 92 B16R2.179941 C1=CC=C2C(=C1)C=CC=C2CCC(=O)O N588732 [0,1,0,1,0,0|2,0,0]=4 93 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N L345143 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N L425719 [0,1,0,1,0,0|2,0,0]=4 95 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N T103480 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N T103482 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N T105704 [0,1,0,1,0,0|2,0,0]=4 98 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N T118579 [0,1,0,1,0,0|2,0,0]=4 99 B16R2.12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O I157602 [0,1,0,1,0,0|2,0,0]=4 100 B16R2.12 C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)N D179426 [0,1,0,1,0,0|1,1,0]=4 101 B16R2.133406 C1=CC2=C(C=C1Br)OC(=CC2=O)C(=O)O B166058 [0,1,0,1,0,0|0,0,2]=4 102 B16R2.23501 C1=CC2=C(C=C1Br)C(=O)C=C(O2)C(=O)O B152558 [0,1,0,1,0,0|0,0,2]=4 103 B16R2.23501 C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)O C153612 [0,1,0,1,0,0|0,0,2]=4 104 B16R2.23501 C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O F156695 [0,1,0,1,0,0|0,0,2]=4 105 B16R2.23501 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O M158438 [0,1,0,1,0,0|0,0,2]=4 106 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] B472535 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [1,0,0,0,1,0|0,0,2]=4 111 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [1,0,0,0,1,0|1,0,0]=3 112 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [1,0,0,0,1,0|1,0,1]=4 113 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [1,0,0,0,1,0|1,0,1]=4 115 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [1,0,0,0,1,0|1,0,1]=4 117 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [1,0,0,0,1,0|0,0,1]=3 118 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [1,0,0,0,1,0|1,0,0]=3 121 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [1,0,0,0,1,0|1,0,0]=3 122 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [1,0,0,0,1,0|0,0,0]=2 123 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [1,0,0,0,1,0|1,0,1]=4 125 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [1,0,0,0,1,0|1,0,0]=3 126 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [1,0,0,0,1,0|2,0,0]=4 127 B14R1.420 C1=CC=C(C=C1)C(=O)CCCC(=O)O B152463 [1,0,0,0,0,1|0,0,0]=2 128 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B129562 [1,0,0,0,0,1|0,0,0]=2 129 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B423509 [1,0,0,0,0,1|0,0,0]=2