0 B14R1.686 C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N CHEBI:16852 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.686 C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)[O-])[NH3+] CHEBI:57924 [0,0,0,0,0,0|0,0,4]=4 2 B14R1.686 Cc1cc(ccc1O)C[C@@H](C(=O)O)N CHEBI:79076 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.686 Cc1cc(ccc1O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:78239 [0,0,0,0,0,0|1,0,2]=3 4 B14R1.686 c1c[n+](cc(c1O)O)C[C@@H](C(=O)O)N CHEBI:17993 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.686 c1c[n+](cc(c1O)[O-])C[C@@H](C(=O)[O-])[NH3+] CHEBI:77848 [0,0,0,0,0,0|1,0,3]=4 6 B14R1.686 c1cc(c(cc1CC(=O)C(=O)O)I)O CHEBI:28039 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.686 c1cc(c(cc1CC(=O)C(=O)O)O)O CHEBI:19891 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.686 c1cc(c(cc1CC(=O)C(=O)[O-])I)O CHEBI:52989 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.686 c1cc(c(cc1CC(=O)C(=O)[O-])O)O CHEBI:29055 [0,0,0,0,0,0|1,0,2]=3 10 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)F)O CHEBI:32771 [0,0,0,0,0,0|1,0,0]=1 11 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)O)O CHEBI:49168 [0,0,0,0,0,0|0,0,0]=0 12 B14R1.686 c1cc(c(cc1CC(C(=O)O)O)O)O CHEBI:17807 [0,0,0,0,0,0|1,0,0]=1 13 B14R1.686 c1cc(c(cc1CC(C(=O)[O-])O)O)O CHEBI:58279 [0,0,0,0,0,0|1,0,1]=2 14 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O CHEBI:53668 [0,0,0,0,0,0|1,0,0]=1 15 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O CHEBI:53678 [0,0,0,0,0,0|1,0,0]=1 16 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)O CHEBI:46534 [0,0,0,0,0,0|1,0,0]=1 17 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O CHEBI:27847 [0,0,0,0,0,0|1,0,0]=1 18 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O CHEBI:15765 [0,0,0,0,0,0|0,0,0]=0 19 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)[O-])N)O)O CHEBI:67012 [0,0,0,0,0,0|0,0,1]=1 20 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)[O-])[NH3+])I)O CHEBI:59898 [0,0,0,0,0,0|1,0,2]=3 21 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)[O-])[NH3+])O)O CHEBI:57504 [0,0,0,0,0,0|0,0,2]=2 22 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)F)O CHEBI:32770 [0,0,0,0,0,0|1,0,0]=1 23 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)O)O CHEBI:49169 [0,0,0,0,0,0|0,0,0]=0 24 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)O)O)O CHEBI:71572 [0,0,0,0,0,0|1,0,0]=1 25 B14R1.686 c1cc(c(cc1C[C@H](C(=O)[O-])O)O)O CHEBI:71492 [0,0,0,0,0,0|1,0,1]=2 26 B14R1.686 c1cn(cc(c1=O)O)C[C@@H](C(=O)O)N CHEBI:29063 [0,0,0,0,0,0|1,0,1]=2 27 B14R1.686 c1cn(cc(c1=O)O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:77689 [0,0,0,0,0,0|1,0,3]=4 28 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O CHEBI:15999 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.133 c1cc(ccc1CC(=O)C(=O)[O-])O CHEBI:36242 [1,0,0,0,0,0|1,0,2]=4 30 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F CHEBI:84060 [1,0,0,0,0,0|1,0,0]=2 31 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O CHEBI:18186 [1,0,0,0,0,0|0,0,0]=1 32 B13R1.133 c1cc(ccc1CC(C(=O)O)N)[OH+] CHEBI:32787 [1,0,0,0,0,0|0,0,0]=1 33 B13R1.133 c1cc(ccc1CC(C(=O)O)N)[O] CHEBI:32783 [1,0,0,0,0,0|0,0,1]=2 34 B13R1.133 c1cc(ccc1CC(C(=O)O)O)O CHEBI:17385 [1,0,0,0,0,0|1,0,0]=2 35 B13R1.133 c1cc(ccc1CC(C(=O)O)[NH3+])O CHEBI:32786 [1,0,0,0,0,0|0,0,1]=2 36 B13R1.133 c1cc(ccc1CC(C(=O)[O-])N)O CHEBI:32784 [1,0,0,0,0,0|0,0,1]=2 37 B13R1.133 c1cc(ccc1CC(C(=O)[O-])N)[O-] CHEBI:32785 [1,0,0,0,0,0|0,0,2]=3 38 B13R1.133 c1cc(ccc1CC(C(=O)[O-])O)O CHEBI:36659 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O CHEBI:21412 [1,0,0,0,0,0|1,0,0]=2 40 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl CHEBI:47069 [1,0,0,0,0,0|1,0,0]=2 41 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F CHEBI:10625 [1,0,0,0,0,0|1,0,0]=2 42 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F CHEBI:44909 [1,0,0,0,0,0|1,0,0]=2 43 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O CHEBI:17895 [1,0,0,0,0,0|0,0,0]=1 44 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[OH+] CHEBI:32763 [1,0,0,0,0,0|0,0,0]=1 45 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O] CHEBI:32759 [1,0,0,0,0,0|0,0,1]=2 46 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH3+])O CHEBI:32762 [1,0,0,0,0,0|0,0,1]=2 47 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)O CHEBI:32760 [1,0,0,0,0,0|0,0,1]=2 48 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)[O-] CHEBI:32761 [1,0,0,0,0,0|0,0,2]=3 49 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)[O-] CHEBI:53696 [1,0,0,0,0,0|0,0,2]=3 50 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O CHEBI:58315 [1,0,0,0,0,0|0,0,2]=3 51 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O CHEBI:28479 [1,0,0,0,0,0|0,0,0]=1 52 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)[OH+] CHEBI:32776 [1,0,0,0,0,0|0,0,0]=1 53 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)[O] CHEBI:32777 [1,0,0,0,0,0|0,0,1]=2 54 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O CHEBI:16003 [1,0,0,0,0,0|1,0,0]=2 55 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)[NH3+])O CHEBI:32775 [1,0,0,0,0,0|0,0,1]=2 56 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])N)O CHEBI:32773 [1,0,0,0,0,0|0,0,1]=2 57 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])N)[O-] CHEBI:32774 [1,0,0,0,0,0|0,0,2]=3 58 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])O)O CHEBI:10980 [1,0,0,0,0,0|1,0,1]=3 59 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])[NH3+])O CHEBI:58570 [1,0,0,0,0,0|0,0,2]=3 60 B13R1.133 c1cc(ccc1\C=C(\C(=O)O)/O)O CHEBI:27683 [1,0,0,0,0,0|1,0,2]=4 61 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N CHEBI:49597 [1,0,0,0,0,0|1,0,0]=2 62 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N CHEBI:77957 [1,0,0,0,0,0|1,0,0]=2 63 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N CHEBI:44303 [1,0,0,0,0,0|0,0,0]=1 64 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:78290 [1,0,0,0,0,0|0,0,2]=3 65 B13R1.511 c1cc(c(cc1CCC(=O)O)O)O CHEBI:48400 [1,0,0,0,0,0|0,0,0]=1 66 B13R1.511 c1cc(c(cc1CCC(=O)[O-])O)O CHEBI:58744 [1,0,0,0,0,0|0,0,1]=2 67 B13R1.511 c1cc(c(cc1OCC(=O)O)Cl)Cl CHEBI:393747 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.511 c1cc(c(cc1\C=C/C(=O)O)O)O CHEBI:17395 [1,0,0,0,0,0|0,0,2]=3 69 B13R1.511 c1cc(c(cc1\C=C/C(=O)[O-])O)O CHEBI:58129 [1,0,0,0,0,0|0,0,3]=4 70 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)O)O CHEBI:16433 [1,0,0,0,0,0|0,0,2]=3 71 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)O)O CHEBI:36281 [1,0,0,0,0,0|0,0,2]=3 72 B13R1.511 c1cc(c(cc1\C=C\C(=O)[O-])O)O CHEBI:57770 [1,0,0,0,0,0|0,0,3]=4 73 B15R1.890 c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)O)O CHEBI:31524 [0,1,0,0,0,0|0,0,0]=1 74 B15R1.4038 COc1cc(ccc1O)C[C@@H](C(=O)O)N CHEBI:82913 [0,1,0,0,0,0|0,0,0]=1 75 B15R1.4038 COc1cc(ccc1O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:133668 [0,1,0,0,0,0|0,0,2]=3 76 B15R1.8394 C1=C(C(=O)C=C(C1=O)O)CC(C(=O)O)N CHEBI:36077 [0,1,0,0,0,0|0,0,1]=2 77 B15R1.8394 C1=C(C(=O)C=C(C1=O)O)CC(C(=O)[O-])[NH3+] CHEBI:68431 [0,1,0,0,0,0|0,0,3]=4 78 B15R1.8394 C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N CHEBI:36076 [0,1,0,0,0,0|0,0,1]=2 79 B15R1.8394 c1c(c(cc(c1O)O)F)C[C@@H](C(=O)O)N CHEBI:49163 [0,1,0,0,0,0|0,0,0]=1 80 B15R1.8394 c1c(c(cc(c1O)O)O)CC(C(=O)O)N CHEBI:20725 [0,1,0,0,0,0|0,0,0]=1 81 B15R1.8394 c1c(c(cc(c1O)O)O)C[C@@H](C(=O)O)N CHEBI:72753 [0,1,0,0,0,0|0,0,0]=1 82 B15R1.8394 c1c(c(cc(c1O)O)[18F])C[C@@H](C(=O)O)N CHEBI:49166 [0,1,0,0,0,0|0,0,0]=1 83 B15R1.11316 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)N CHEBI:61058 [0,1,0,0,0,0|0,0,0]=1 84 B15R1.28955 Cc1cc(cc(c1O)O)C[C@@H](C(=O)O)N CHEBI:79077 [0,1,0,0,0,0|0,0,0]=1 85 B15R1.28955 Cc1cc(cc(c1O)O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:78241 [0,1,0,0,0,0|0,0,2]=3 86 B15R1.28955 c1c(cc(c(c1Br)O)Br)CC(=O)C(=O)O CHEBI:28128 [0,1,0,0,0,0|2,0,1]=4 87 B15R1.28955 c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N CHEBI:28335 [0,1,0,0,0,0|1,0,0]=2 88 B15R1.28955 c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N CHEBI:28016 [0,1,0,0,0,0|1,0,0]=2 89 B15R1.28955 c1c(cc(c(c1I)O)I)CC(=O)C(=O)O CHEBI:17131 [0,1,0,0,0,0|2,0,1]=4 90 B15R1.28955 c1c(cc(c(c1I)O)I)CC(C(=O)O)O CHEBI:16122 [0,1,0,0,0,0|2,0,0]=3 91 B15R1.28955 c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N CHEBI:15768 [0,1,0,0,0,0|1,0,0]=2 92 B15R2.1102 C1C(NC2=CC(=O)C(=O)C=C21)C(=O)O CHEBI:49108 [0,0,0,1,0,0|0,0,2]=3 93 B15R2.1102 C1[C@@H](NC2=CC(=O)C(=O)C=C21)C(=O)O CHEBI:49109 [0,0,0,1,0,0|0,0,2]=3 94 B15R2.1102 C1[C@@H](NC2=CC(=O)C(=O)C=C21)C(=O)[O-] CHEBI:58782 [0,0,0,1,0,0|0,0,3]=4 95 B15R2.1102 C1[C@H](NC2=CC(=O)C(=O)C=C21)C(=O)O CHEBI:15772 [0,0,0,1,0,0|0,0,2]=3 96 B15R2.1102 C1[C@H](NC2=CC(=O)C(=O)C=C21)C(=O)[O-] CHEBI:57509 [0,0,0,1,0,0|0,0,3]=4 97 B15R2.1102 c1c2c(cc(c1O)O)N[C@@H](C2)C(=O)O CHEBI:60872 [0,0,0,1,0,0|0,0,0]=1 98 B15R2.1102 c1c2cc([nH]c2cc(c1O)O)C(=O)O CHEBI:2003 [0,0,0,1,0,0|0,0,2]=3 99 B15R2.1102 c1c2cc([nH]c2cc(c1O)O)C(=O)[O-] CHEBI:16875 [0,0,0,1,0,0|0,0,3]=4 100 B13R1.510 c1cc(c(cc1C(C(=O)O)O)O)O CHEBI:27637 [0,0,0,0,1,0|1,0,0]=2 101 B13R1.510 c1cc(c(cc1C(C(=O)[O-])O)O)O CHEBI:53326 [0,0,0,0,1,0|1,0,1]=3 102 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [2,0,0,0,0,0|1,0,0]=3 103 B12R1.21 c1cc(ccc1CCC(=O)O)O CHEBI:32980 [2,0,0,0,0,0|0,0,0]=2 104 B12R1.21 c1cc(ccc1CCC(=O)[O-])O CHEBI:16331 [2,0,0,0,0,0|0,0,1]=3 105 B12R1.21 c1cc(ccc1NCC(=O)O)O CHEBI:55443 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.21 c1cc(ccc1OCC(=O)O)Cl CHEBI:1808 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.21 c1cc(ccc1\C=C/C(=O)O)O CHEBI:17450 [2,0,0,0,0,0|0,0,2]=4 108 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:32374 [2,0,0,0,0,0|0,0,2]=4 109 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:36090 [2,0,0,0,0,0|0,0,2]=4 110 B12R1.43 C1C=CCC(=C1)C[C@@H](C(=O)O)N CHEBI:27940 [2,0,0,0,0,0|0,0,2]=4 111 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [2,0,0,0,0,0|1,0,1]=4 112 B12R1.43 c1ccc(cc1)CC(C(=O)O)N CHEBI:28044 [2,0,0,0,0,0|0,0,0]=2 113 B12R1.43 c1ccc(cc1)CC(C(=O)O)O CHEBI:25998 [2,0,0,0,0,0|1,0,0]=3 114 B12R1.43 c1ccc(cc1)CC(C(=O)O)[NH3+] CHEBI:32505 [2,0,0,0,0,0|0,0,1]=3 115 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])N CHEBI:32504 [2,0,0,0,0,0|0,0,1]=3 116 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])O CHEBI:8100 [2,0,0,0,0,0|1,0,1]=4 117 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N CHEBI:21371 [2,0,0,0,0,0|1,0,0]=3 118 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N CHEBI:17295 [2,0,0,0,0,0|0,0,0]=2 119 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O CHEBI:43065 [2,0,0,0,0,0|1,0,0]=3 120 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH3+] CHEBI:32487 [2,0,0,0,0,0|0,0,1]=3 121 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])N CHEBI:32486 [2,0,0,0,0,0|0,0,1]=3 122 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])O CHEBI:32979 [2,0,0,0,0,0|1,0,1]=4 123 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] CHEBI:58095 [2,0,0,0,0,0|0,0,2]=4 124 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N CHEBI:16998 [2,0,0,0,0,0|0,0,0]=2 125 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O CHEBI:32978 [2,0,0,0,0,0|1,0,0]=3 126 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)[NH3+] CHEBI:32495 [2,0,0,0,0,0|0,0,1]=3 127 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])N CHEBI:32494 [2,0,0,0,0,0|0,0,1]=3 128 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])O CHEBI:11009 [2,0,0,0,0,0|1,0,1]=4 129 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])[NH3+] CHEBI:57981 [2,0,0,0,0,0|0,0,2]=4 130 B12R1.226 c1cc(cc(c1)O)CCC(=O)O CHEBI:1427 [2,0,0,0,0,0|0,0,0]=2 131 B12R1.226 c1cc(cc(c1)O)CCC(=O)[O-] CHEBI:57277 [2,0,0,0,0,0|0,0,1]=3 132 B12R1.226 c1cc(cc(c1)O)\C=C/C(=O)O CHEBI:47926 [2,0,0,0,0,0|0,0,2]=4 133 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:32357 [2,0,0,0,0,0|0,0,2]=4 134 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:47925 [2,0,0,0,0,0|0,0,2]=4 135 B12R1.385 c1cc(c(cc1\C=C\C=O)O)O CHEBI:28323 [2,0,0,0,0,0|0,0,2]=4 136 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [2,0,0,0,0,0|1,0,1]=4 137 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [2,0,0,0,0,0|1,0,1]=4 138 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N CHEBI:17215 [1,1,0,0,0,0|0,0,0]=2 139 B14R1.536 c1cc(ccc1C[C@@H](C(=O)O)NO)O CHEBI:28089 [1,1,0,0,0,0|0,0,0]=2 140 B14R1.536 c1cc(ccc1C[C@@H](C(=O)[O-])NO)O CHEBI:58547 [1,1,0,0,0,0|0,0,1]=3 141 B14R1.536 c1cc(ccc1C\C(=N\O)\C(=O)O)O CHEBI:131385 [1,1,0,0,0,0|0,0,2]=4 142 B14R1.7626 C[C@](Cc1ccc(cc1)O)(C(=O)O)N CHEBI:6912 [1,1,0,0,0,0|0,0,0]=2 143 B14R1.42 CC(=O)CCc1ccc(c(c1)OC)O CHEBI:68657 [1,1,0,0,0,0|1,0,0]=3 144 B14R1.42 COc1cc(ccc1O)CCC(=O)O CHEBI:86612 [1,1,0,0,0,0|0,0,0]=2 145 B14R1.42 COc1cc(ccc1O)CCC(=O)[O-] CHEBI:133751 [1,1,0,0,0,0|0,0,1]=3 146 B14R1.42 COc1cc(ccc1O)\C=C/C(=O)O CHEBI:76117 [1,1,0,0,0,0|0,0,2]=4 147 B14R1.42 COc1cc(ccc1O)\C=C\C(=O)O CHEBI:17620 [1,1,0,0,0,0|0,0,2]=4 148 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O CHEBI:65331 [1,1,0,0,0,0|0,0,2]=4 149 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O CHEBI:6856 [1,1,0,0,0,0|0,0,2]=4 150 B14R1.3653 COc1ccc(cc1O)\C=C\C(=O)O CHEBI:27794 [1,1,0,0,0,0|0,0,2]=4 151 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O CHEBI:20106 [0,1,0,0,1,0|1,0,0]=3 152 B14R1.41 COc1cc(ccc1O)C(C(=O)[O-])O CHEBI:27622 [0,1,0,0,1,0|1,0,1]=4 153 B16R1.94545 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN CHEBI:3395 [0,2,0,0,0,0|0,0,0]=2 154 B16R1.94545 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN CHEBI:39585 [0,2,0,0,0,0|0,0,0]=2 155 B16R1.20118 Cc1c(c(ccc1CC(C(=O)O)N)OC)C CHEBI:90142 [0,2,0,0,0,0|1,0,0]=3 156 B16R1.20118 Cc1c(c(ccc1C[C@@H](C(=O)O)N)OC)C CHEBI:127106 [0,2,0,0,0,0|1,0,0]=3 157 B16R1.20118 Cc1c(c(ccc1C[C@H](C(=O)O)N)OC)C CHEBI:127151 [0,2,0,0,0,0|1,0,0]=3 158 B16R1.36328 Cc1cc(cc(c1OC)O)C[C@@H](C(=O)O)N CHEBI:88159 [0,2,0,0,0,0|0,0,0]=2 159 B16R1.36328 Cc1cc(cc(c1OC)O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:87846 [0,2,0,0,0,0|0,0,2]=4 160 B16R1.1058 c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O CHEBI:86269 [0,2,0,0,0,0|0,0,1]=3 161 B16R1.1058 c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O CHEBI:44454 [0,2,0,0,0,0|0,0,1]=3 162 B16R1.1058 c1cc(c(cc1C[C@H](C(=O)O)N)[N+](=O)[O-])O CHEBI:86270 [0,2,0,0,0,0|0,0,1]=3 163 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O CHEBI:17313 [1,0,0,1,0,0|0,0,2]=4 164 B12R1.20 c1cc(ccc1C(=O)C(=O)O)O CHEBI:28719 [1,0,0,0,1,0|1,0,1]=4 165 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [1,0,0,0,1,0|1,0,0]=3 166 B12R1.20 c1cc(ccc1C(C(=O)O)N)O CHEBI:50418 [1,0,0,0,1,0|0,0,0]=2 167 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [1,0,0,0,1,0|1,0,0]=3 168 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [1,0,0,0,1,0|1,0,1]=4 169 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O CHEBI:31755 [1,0,0,0,1,0|0,0,0]=2 170 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [1,0,0,0,1,0|1,0,0]=3 171 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [1,0,0,0,1,0|1,0,1]=4 172 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O CHEBI:15695 [1,0,0,0,1,0|0,0,0]=2 173 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [1,0,0,0,1,0|1,0,0]=3 174 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [1,0,0,0,1,0|1,0,1]=4 175 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])[NH3+])O CHEBI:57475 [1,0,0,0,1,0|0,0,2]=4 176 B12R1.225 CC(c1cccc(c1)O)C(=O)O CHEBI:131432 [1,0,0,0,1,0|1,0,0]=3 177 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O CHEBI:86553 [1,0,0,0,1,0|1,0,0]=3 178 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [1,0,0,0,1,0|1,0,0]=3 179 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [1,0,0,0,1,0|1,0,1]=4 180 B14R1.679 c1cc(ccc1SC[C@@H](C(=O)O)N)Br CHEBI:17736 [1,0,0,0,0,1|1,0,0]=3