0 B15R1.890 NC(C(=O)O)C(O)c1ccc(O)c(O)c1 HR127141 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.685 NC(CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 HR114892 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 HR130173 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136284 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136546 [1,0,0,0,0,0|2,0,0]=3 5 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR141126 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(=O)O HR138077 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR120632 [1,0,0,0,0,0|2,0,0]=3 8 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR121333 [1,0,0,0,0,0|2,0,0]=3 9 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O HR141516 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O HR134921 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O HR32498 [1,0,0,0,0,0|1,0,1]=3 12 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O HR32499 [1,0,0,0,0,0|1,0,1]=3 13 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O HR127040 [1,0,0,0,0,0|0,0,0]=1 14 B14R1.686 O=C(O)C(O)CC1=CC(O)=C(O)C=C1 HR122792 [1,0,0,0,0,0|1,0,0]=2 15 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 HR145011 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 HR141569 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 HR104343 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR115419 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR140629 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR142205 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR104128 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR106494 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR141616 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119110 [2,0,0,0,0,0|1,0,0]=3 25 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119422 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O HR128093 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O HR122638 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR118920 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR123568 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR118291 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128095 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128365 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR130844 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR140535 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR132042 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR135124 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEJL03501 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEXF01701 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR128738 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR133784 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR134857 [2,0,0,0,0,0|1,0,0]=3 42 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR141327 [2,0,0,0,0,0|1,0,0]=3 43 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR125407 [2,0,0,0,0,0|0,0,0]=2 44 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR130121 [2,0,0,0,0,0|0,0,0]=2 45 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)[O-] HR142577 [2,0,0,0,0,0|0,0,1]=3 46 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O HR102670 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O HR131097 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O HR130989 [2,0,0,0,0,0|0,0,0]=2 49 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR122238 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR127396 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HR123685 [2,0,0,0,0,0|1,0,1]=4 52 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR105855 [2,0,0,0,0,0|1,0,0]=3 53 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR129363 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 HR121955 [2,0,0,0,0,0|0,0,0]=2 55 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR138553 [2,0,0,0,0,0|2,0,0]=4 56 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR139387 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 HR143077 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.147 CC1=CC=CC(C(N)CC(=O)O)=C1 HR141667 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 HR142682 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 HR101125 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 HR121644 [2,0,0,0,0,0|2,0,0]=4 62 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 HR118605 [2,0,0,0,0,0|1,0,0]=3 63 B13R1.148 CC1=CC=CC(CC(N)C(=O)O)=C1 HR128337 [2,0,0,0,0,0|1,0,0]=3 64 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR117126 [2,0,0,0,0,0|1,0,0]=3 65 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR142584 [2,0,0,0,0,0|1,0,0]=3 66 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138211 [2,0,0,0,0,0|1,0,0]=3 67 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138476 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR122174 [2,0,0,0,0,0|1,0,0]=3 69 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR129160 [2,0,0,0,0,0|1,0,0]=3 70 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O HR128026 [2,0,0,0,0,0|0,0,0]=2 71 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O HR132794 [2,0,0,0,0,0|1,0,0]=3 72 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 HR124574 [2,0,0,0,0,0|2,0,0]=4 73 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 HR138456 [2,0,0,0,0,0|2,0,0]=4 74 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 HR122355 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 HR138975 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 HR111431 [2,0,0,0,0,0|1,0,0]=3 77 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 HR117785 [2,0,0,0,0,0|2,0,0]=4 78 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 HR148370 [2,0,0,0,0,0|2,0,0]=4 79 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 HR144020 [2,0,0,0,0,0|0,0,0]=2 80 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 HR100842 [2,0,0,0,0,0|0,0,2]=4 81 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 HR136582 [2,0,0,0,0,0|0,0,2]=4 82 B13R1.510 O=C(O)C(O)c1ccc(O)c(O)c1 HR142287 [2,0,0,0,0,0|1,0,1]=4 83 B15R1.5521 COC(=O)C(N)CC1=CC(I)=C(O)C=C1 HR127171 [1,1,0,0,0,0|1,0,0]=3 84 B15R1.8394 NC(Cc1cc(O)c(O)cc1F)C(=O)O HR141421 [1,1,0,0,0,0|0,0,0]=2 85 B15R1.11316 CC(N)(CC1=CC(O)=C(O)C=C1)C(=O)O HR129438 [1,1,0,0,0,0|0,0,0]=2 86 B15R1.11316 CC(N)(CC1=CC(O)=C(O)C=C1)C(=O)O HR140892 [1,1,0,0,0,0|0,0,0]=2 87 B15R1.11316 CC(N)(Cc1ccc(O)c(O)c1)C(=O)O HR122810 [1,1,0,0,0,0|0,0,0]=2 88 B15R1.11316 CC(N)(Cc1ccc(O)c(O)c1)C(=O)O HR125860 [1,1,0,0,0,0|0,0,0]=2 89 B15R1.28955 NC(CC1=CC(Br)=C(O)C(Br)=C1)C(=O)O HR128553 [1,1,0,0,0,0|1,0,0]=3 90 B15R1.28955 NC(CC1=CC(I)=C(O)C(I)=C1)C(=O)O HR136923 [1,1,0,0,0,0|1,0,0]=3