0 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50347 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 E71813 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3 COC1=CC=C(C[C@H](C)C(=O)O)C=C1 D71902 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [1,0,0,0,0,0|2,0,0]=3 13 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 I11780 [0,1,0,0,0,0|2,0,0]=3 14 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 I11884 [0,1,0,0,0,0|2,0,0]=3 15 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC8077 [0,1,0,0,0,0|2,0,0]=3 16 B15R1.208 CN[C@@H](CC1=CC=C(OC)C=C1)C(=O)O AT23633 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.216 CC(C)(OC1=CC=C(C#N)C=C1)C(=O)O 57938 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10884 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10984 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.495 C[C@H](OC1=CC=C([N+](=O)[O-])C=C1)C(=O)O A50594 [0,1,0,0,0,0|2,0,0]=3 21 B15R1.1855 COC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 N14191 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.3777 COC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 N14328 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.451 COC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC8821 [0,0,0,1,0,0|1,0,0]=2 24 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 95740 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=N2 73367 [0,0,0,1,0,0|2,0,1]=4 26 B15R2.4834 COC1=CC2=C(C=C1)OC(C(C)=O)=C2 77501 [0,0,0,1,0,0|1,0,2]=4 27 B15R2.4834 COC1=CC2=C(C=C1)O[C@H](C(=O)O)C2 C77236 [0,0,0,1,0,0|0,0,0]=1 28 B15R2.21336 COC1=CC2=C(C=C1)C=C(C)C(=O)N2 92259 [0,0,0,1,0,0|2,0,1]=4 29 B15R2.21336 COC1=CC2=C(C=C1)C[C@H](C)C(=O)N2 92260 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.36 CCC1=CC=C([C@@H](C)C(=O)O)C=C1 43958 [0,0,0,0,1,0|1,0,0]=2 31 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15201 [0,0,0,0,1,0|2,0,0]=3 32 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15212 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.36 CCC1=CC=C([C@@H](N)C(C)=O)C=C1 N15713 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.36 COC1=CC=C(C(N)C(C)O)C=C1 N15668 [0,0,0,0,1,0|2,0,1]=4 35 B13R1.36 COC1=CC=C([C@@H](N)C(C)=O)C=C1 N15667 [0,0,0,0,1,0|2,0,0]=3 36 B13R1.36 COC1=CC=C([C@@H](N)C(C)O)C=C1 N15669 [0,0,0,0,1,0|2,0,1]=4 37 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15670 [0,0,0,0,1,0|2,0,1]=4 38 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15673 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.36 COC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15671 [0,0,0,0,1,0|2,0,1]=4 40 B13R1.36 COC1=CN=C([C@@H](N)C(=O)O)C=C1 F19589 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.36 COC1=NC=C([C@@H](N)C(=O)O)C=C1 F19588 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.36 CSC1=CC=C([C@@H](N)C(C)=O)C=C1 N15685 [0,0,0,0,1,0|2,1,0]=4 43 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(C=O)C=C1 F19307 [0,0,0,0,1,0|2,0,0]=3 44 B13R1.36 N#CC1=CC=C([C@@H](N)C(=O)O)C=C1 AC5738 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [2,0,0,0,0,0|0,1,0]=3 48 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [2,0,0,0,0,0|1,1,0]=4 56 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [2,0,0,0,0,0|2,0,0]=4 58 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 F16854 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.103 COC1=CC(C)=C(CCC(=O)O)C=C1 F52913 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 75499 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.103 COC1=CC(O)=C(C=CC(=O)O)C=C1 D87966 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.142 NCCC1=CC=C(OCC(=O)O)C=C1 AC6348 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.419 CC(C)C1=CC=C(SCC(=O)O)C=C1 AT20940 [1,1,0,0,0,0|1,1,0]=4 64 B14R1.419 NC(=O)C1=CC=C(OCC(=O)O)C=C1 AC5840 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(Cl)C=C1 AC9471 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.536 CC1=CC=C(C[C@H](C#N)C(=O)O)C=C1 AC6908 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O C15944 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.686 CC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 N14837 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.686 CC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 N14838 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14839 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14840 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O F15995 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.6049 CC1=C(C[C@H](N)C(=O)O)C=CC(O)=C1 N14842 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.6049 CC1=C(C[C@H](N)C(=O)O)C=CC(O)=C1 N14843 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 D85898 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.6049 CC1=CC(O)=C(C[C@H](N)C(=O)O)C=C1 N14841 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.6049 C[C@H](OC1=C(Cl)C=C(Cl)C=C1)C(=O)O AT13815 [1,1,0,0,0,0|1,0,0]=3 78 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O N12996 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.7626 CC(C)(CC1=CC=C(Br)C=C1)C(=O)O C90965 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O O10872 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.102 COC1=CC(C)=C([C@@H](N)C(C)=O)C=C1 N15971 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.102 COC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 N13110 [0,1,0,0,1,0|1,0,0]=3 83 B14R1.102 COC1=CC(F)=C([C@@H](N)C(C)=O)C=C1 N16302 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.213 COC1=CC=C([C@@](C)(N)C(=O)O)C=C1 91767 [0,1,0,0,1,0|0,0,0]=2 85 B14R1.3652 COC1=C(Br)C=C([C@@H](N)C(=O)O)C=C1 N11044 [0,1,0,0,1,0|1,0,0]=3 86 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1 N12771 [0,1,0,0,1,0|1,0,0]=3 87 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1 N16056 [0,1,0,0,1,0|1,0,0]=3 88 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(C)=O)C=C1 N15970 [0,1,0,0,1,0|2,0,0]=4 89 B14R1.3652 COC1=C(F)C=C([C@@H](N)C(C)=O)C=C1 N15958 [0,1,0,0,1,0|2,0,0]=4 90 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(=O)O)C=C1 N15397 [0,1,0,0,1,0|2,0,0]=4 91 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(=O)O)C=C1 N15408 [0,1,0,0,1,0|2,0,0]=4 92 B16R1.7182 CCOC1=CC=C(C[C@H](C#N)C(=O)O)C=C1 AC6006 [0,2,0,0,0,0|1,0,1]=4 93 B16R1.20196 COC1=CC(OC)=C(C[C@H](N)C(=O)O)C=C1 A50322 [0,2,0,0,0,0|2,0,0]=4 94 B16R1.4274 COC1=C(OC)C=C(C[C@H](C)C(=O)O)C=C1 D71903 [0,2,0,0,0,0|1,0,0]=3 95 B14R2.27 COC1=CC=C(C2CC(=O)C2)C=C1 91862 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 AC6243 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.331 COC1=CC=C(OC2CNC2)C=C1 88518 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.3274 COC1=CC2=C(C=C1)C[C@H](Br)C2=O I11679 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 F51901 [1,0,0,1,0,0|1,0,0]=3 100 B14R2.4402 NC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AT24982 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC9688 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 95736 [1,0,0,1,0,0|0,0,2]=4 103 B14R2.4529 O=C(O)[C@@H]1CC2=C(C=CC(Cl)=C2)O1 F14732 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.8239 C[C@H]1CC2=C(C=C(O)C=C2)NC1=O 92261 [1,0,0,1,0,0|2,0,0]=4 105 B16R2.7604 COC(=O)C1=CC2=C(C=CC(OC)=C2)O1 84805 [0,1,0,1,0,0|0,0,2]=4 106 B16R2.7604 COC(=O)C1=NC2=C(C=CC(OC)=C2)O1 F13844 [0,1,0,1,0,0|1,0,1]=4 107 B16R2.7604 COC(=O)[C@@H]1CC2=C(C=C(OC)C=C2)O1 AC5699 [0,1,0,1,0,0|2,0,0]=4 108 B16R2.28287 NCCC1=CC2=C(C=C1)O[C@H](C(=O)O)O2 F51151 [0,1,0,1,0,0|2,0,0]=4 109 B16R2.191809 COC1=CC2=C(C=C1)OC(C)(C)C(=O)N2 AC7317 [0,1,0,1,0,0|1,0,0]=3 110 B16R2.41881 COC1=CC(Br)=C2OC(C(=O)O)=CC2=C1 66274 [0,1,0,1,0,0|0,0,2]=4 111 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [1,0,0,0,1,0|2,0,0]=4 125 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 D84316 [1,0,0,0,0,1|1,0,0]=3 126 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 31694 [1,0,0,0,0,1|2,0,0]=4 127 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78258 [1,0,0,0,0,1|2,0,0]=4 128 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10070 [1,0,0,0,0,1|2,0,0]=4 129 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10101 [1,0,0,0,0,1|2,0,0]=4 130 B16R1.5 COC1=CC=C(CSC[C@H](N)C(=O)O)C=C1 FD21328 [0,0,0,0,0,2|1,1,0]=4