0 B14R1.419 CC(=O)C1=CC=C(CCC(=O)O)C=C1 D80232 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.419 CC(=O)C1=CC=C(OCC(=O)O)C=C1 D88510 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.419 CC(=O)OCC1=CC=C([N+](=O)[O-])C=C1 28068 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 F15986 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 AC1119 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.419 O=C(Cl)OCC1=CC=C([N+](=O)[O-])C=C1 F15442 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 20067 [0,0,0,0,0,0|1,0,3]=4 7 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 28334 [0,0,0,0,0,0|0,0,2]=2 8 B14R1.419 O=C(O)COC1=CC=C(C(=O)O)C=C1 D84239 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.419 O=C(O)\C=C\C1=CC=C(B(O)O)C=C1 W17849 [0,0,0,0,0,0|1,0,2]=3 10 B14R1.419 O=C(O)\C=C\C1=CC=C(C(=O)O)C=C1 D70259 [0,0,0,0,0,0|1,0,1]=2 11 B14R1.419 O=C(O)\C=C\C1=CC=C([N+](=O)[O-])C=C1 A10224 [0,0,0,0,0,0|0,0,0]=0 12 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 A10220 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 20462 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 D77810 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 78066 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.74 O=[N+]([O-])C1=CC=C(OCCO)C=C1 73790 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.74 O=[N+]([O-])C1=CC=C(\C=C\CO)C=C1 T71811 [1,0,0,0,0,0|0,0,1]=2 18 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O 47300 [0,1,0,0,0,0|0,0,2]=3 19 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O 64576 [0,1,0,0,0,0|0,0,2]=3 20 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O 73295 [0,1,0,0,0,0|0,0,2]=3 21 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O C10802 [0,1,0,0,0,0|0,0,2]=3 22 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O D71137 [0,1,0,0,0,0|0,0,2]=3 23 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O H10156 [0,1,0,0,0,0|0,0,2]=3 24 B15R1.495 O=C(O)C(=O)CC1=CC=C([N+](=O)[O-])C=C1 C74958 [0,1,0,0,0,0|0,0,1]=2 25 B15R1.498 CC(C)(C)C1=CC=C(\C=C\C(=O)O)C=C1 A10225 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.498 O=C(O)\C=C\C1=CC=C(C(F)(F)F)C=C1 CK2539 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.498 O=C(O)\C=C\C1=CC=C(C(F)(F)F)C=C1 D77370 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.944 COC(=O)C1=CC=C(\C=C\C(=O)O)C=C1 A10423 [0,1,0,0,0,0|1,0,1]=3 29 B15R1.5504 N[C@@H](CC(=O)O)C1=CC=C([N+](=O)[O-])C=C1 64560 [0,1,0,0,0,0|0,0,2]=3 30 B15R1.5504 N[C@@H](CC(=O)O)C1=CC=C([N+](=O)[O-])C=C1 64561 [0,1,0,0,0,0|0,0,2]=3 31 B15R2.7174 O=C1C=CC2=C(C=C([N+](=O)[O-])C=C2)N1 D82549 [0,0,0,1,0,0|1,0,0]=2 32 B15R2.7174 O=C1COC2=C(C=C([N+](=O)[O-])C=C2)N1 64675 [0,0,0,1,0,0|2,0,1]=4 33 B15R2.7174 O=[N+]([O-])C1=CC=C2C=CC(Cl)=NC2=C1 27568 [0,0,0,1,0,0|2,0,0]=3 34 B15R2.67862 O=[N+]([O-])C1=CC2=C(C=C1)C=CS2(=O)=O 42287 [0,0,0,1,0,0|1,0,1]=3 35 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 34189 [0,0,0,0,1,0|1,0,1]=3 36 B13R1.585 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1 AB9858 [0,0,0,0,1,0|2,0,0]=3 37 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 F31024 [0,0,0,0,1,0|2,0,0]=3 38 B13R1.585 N=C(N)NC1=CC=C([N+](=O)[O-])C=C1 A11349 [0,0,0,0,1,0|3,0,0]=4 39 B13R1.585 NC(=S)NC1=CC=C([N+](=O)[O-])C=C1 T72375 [0,0,0,0,1,0|2,1,0]=4 40 B13R1.585 O=C(Cl)OC1=CC=C([N+](=O)[O-])C=C1 76489 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.585 O=C(O)CC1=CC=C(C(=O)O)C=C1 CL8788 [0,0,0,0,1,0|1,0,2]=4 42 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 S12333 [0,0,0,0,1,0|0,0,1]=2 43 B13R1.1985 O=C(O)\C=C\C1=CC=C([N+](=O)[O-])O1 D91728 [0,0,0,0,1,0|1,0,0]=2 44 B15R1.499 CC(=O)OC1=CC=C(\C=C\C(=O)O)C=C1 50372 [0,0,0,0,0,1|2,0,0]=3 45 B15R1.1080 CC(=O)NCCC1=CC=C([N+](=O)[O-])C=C1 39415 [0,0,0,0,0,1|1,0,2]=4 46 B15R1.1080 O=C(O)CCCC1=CC=C([N+](=O)[O-])C=C1 64616 [0,0,0,0,0,1|0,0,2]=3 47 B15R1.1080 O=C(O)CCOC1=CC=C([N+](=O)[O-])C=C1 28951 [0,0,0,0,0,1|0,0,2]=3 48 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C11421 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC7520 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 CK2534 [2,0,0,0,0,0|0,0,1]=3 51 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 29303 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AB6442 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 S12285 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 78053 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC7879 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC7957 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CK2547 [2,0,0,0,0,0|0,0,1]=3 58 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 D82618 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 CK2458 [2,0,0,0,0,0|0,0,2]=4 60 B12R1.113 O=[N+]([O-])C1=CC=C(\C=N\O)C=C1 AB7658 [2,0,0,0,0,0|1,0,0]=3 61 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 D77689 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 F52666 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 34609 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 AC7711 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 W11634 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.3653 COC1=C(Br)C=C(\C=C\C(=O)O)C=C1 71333 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 28603 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 D78092 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.2879 C=CC(=O)NC1=CC=C([N+](=O)[O-])C=C1 A10048 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.124 CC(=O)NC1=C(O)C=C([N+](=O)[O-])C=C1 W11807 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.124 O=C(O)CC1=C(F)C=C([N+](=O)[O-])C=C1 CX1226 [0,1,0,0,1,0|0,0,1]=3 72 B14R1.5801 CC(=O)NC1=CC(F)=C([N+](=O)[O-])C=C1 D80637 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.5801 CC(=O)OC1=CC(C)=C([N+](=O)[O-])C=C1 D84406 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.5801 CC1=C([N+](=O)[O-])C=CC(CC(=O)O)=C1 CL4115 [0,1,0,0,1,0|0,0,1]=3 75 B14R1.5801 O=C(O)CC1=CC(F)=C([N+](=O)[O-])C=C1 AB7279 [0,1,0,0,1,0|0,0,1]=3 76 B14R1.6402 C[C@@H](C(=O)O)C1=CC=C([N+](=O)[O-])C=C1 20514 [0,1,0,0,1,0|0,0,1]=3 77 B14R1.6402 O=C(C1=CC=C([N+](=O)[O-])C=C1)C(O)O D71261 [0,1,0,0,1,0|0,0,2]=4 78 B16R1.4542 O=C(O)CNC(=O)C1=CC=C([N+](=O)[O-])C=C1 D97784 [0,1,0,0,0,1|0,0,1]=3 79 B16R1.12459 N[C@@H](CC(=O)O)CC1=CC=C([N+](=O)[O-])C=C1 77781 [0,1,0,0,0,1|0,0,2]=4 80 B16R1.6949 COC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1 47302 [0,2,0,0,0,0|0,0,2]=4 81 B16R1.6949 COC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1 D82800 [0,2,0,0,0,0|0,0,2]=4 82 B16R1.864 COC(=O)C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 C74421 [0,2,0,0,0,0|0,0,2]=4 83 B16R1.925 CCOC(=O)\C=C\C1=CC=C([N+](=O)[O-])C=C1 D70665 [0,2,0,0,0,0|0,0,0]=2 84 B16R1.18494 O=CC1=C(OCC(=O)O)C=CC([N+](=O)[O-])=C1 C13004 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.676 O=C(O)CC1=C(F)C=CC([N+](=O)[O-])=C1 23379 [0,0,1,1,0,0|1,0,1]=4 86 B14R1.4450 CC1=C([N+](=O)[O-])C=CC=C1CC(=O)O 27078 [0,0,1,1,0,0|0,0,2]=4 87 B14R1.104 COC1=CC(C(=O)O)=C([N+](=O)[O-])C=C1 27070 [0,0,1,1,0,0|1,0,1]=4 88 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 84574 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 73718 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.781 O=[N+]([O-])C1=CC2=NC=CC=C2C=C1 25343 [1,0,0,1,0,0|1,0,0]=3 91 B14R2.781 O=[N+]([O-])C1=CC2=NC=CN=C2C=C1 81088 [1,0,0,1,0,0|2,0,0]=4 92 B14R2.24358 CN1C=CC2=C1C=C([N+](=O)[O-])C=C2 77202 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.24358 O=C1CCC2=C1C=C([N+](=O)[O-])C=C2 67480 [1,0,0,1,0,0|0,0,2]=4 94 B14R2.24358 O=C1NCC2=C1C=C([N+](=O)[O-])C=C2 87917 [1,0,0,1,0,0|1,0,1]=4 95 B14R2.24358 O=C1OCC2=C1C=C([N+](=O)[O-])C=C2 33421 [1,0,0,1,0,0|1,0,1]=4 96 B14R2.24358 O=[N+]([O-])C1=CC2=C(C=C1)NC=C2Br 29021 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.601 CC1=NC2=C(C=C([N+](=O)[O-])C=C2)O1 S10437 [0,0,0,1,1,0|2,0,0]=4 98 B14R2.601 O=C1CC2=C(C=C([N+](=O)[O-])C=C2)C1 64652 [0,0,0,1,1,0|1,0,1]=4 99 B14R2.601 O=C1CC2=C(C=C([N+](=O)[O-])C=C2)N1 RB3264 [0,0,0,1,1,0|1,0,1]=4 100 B14R2.601 O=C1CC2=C(C=CC([N+](=O)[O-])=C2)N1 33862 [0,0,0,1,1,0|2,0,0]=4 101 B14R2.601 O=C1NC2=C(C=C([N+](=O)[O-])C=C2)N1 AB10021 [0,0,0,1,1,0|2,0,0]=4 102 B14R2.601 O=C1NC2=C(C=C([N+](=O)[O-])C=C2)O1 AC8817 [0,0,0,1,1,0|1,0,0]=3 103 B14R2.601 O=C1NC2=C(C=C([N+](=O)[O-])C=C2)S1 28906 [0,0,0,1,1,0|1,1,0]=4 104 B16R2.3885 O=C1N=C2C=CC([N+](=O)[O-])=CC2=NC1=O D81758 [0,1,0,1,0,0|2,0,0]=4 105 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)N1 28423 [0,1,0,1,0,0|1,0,0]=3 106 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)O1 I11534 [0,1,0,1,0,0|1,0,0]=3 107 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)S1 53021 [0,1,0,1,0,0|1,0,0]=3 108 B16R2.27395 O=C(O)C1=NC2=C(C=CC([N+](=O)[O-])=C2)N1 27552 [0,1,0,1,0,0|1,0,0]=3 109 B16R2.11974 O=S(=O)([O-])C1=CC2=CC(O)=CC=C2C=C1 D91633 [0,1,0,1,0,0|2,0,0]=4 110 B16R2.26103 O=C1NC2=C(C=CC([N+](=O)[O-])=C2)C(=O)O1 69441 [0,1,0,1,0,0|2,0,0]=4 111 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 23087 [0,0,0,0,2,0|2,0,0]=4 112 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 AC1233 [0,0,0,0,2,0|1,0,0]=3 113 B12R1.256 N=C(N)C1=CC=C([N+](=O)[O-])C=C1 31136 [0,0,0,0,2,0|2,0,0]=4 114 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 AC9104 [0,0,0,0,2,0|2,0,0]=4 115 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 D70606 [0,0,0,0,2,0|0,0,0]=2 116 B12R1.256 O=C(O)C1=CN=C([N+](=O)[O-])C=C1 26572 [0,0,0,0,2,0|1,0,0]=3 117 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 BL000500 [0,0,0,0,2,0|1,0,0]=3 118 B12R1.256 O=C([O-])C1=CC=C(C(=O)[O-])C=C1 D95229 [0,0,0,0,2,0|1,0,1]=4 119 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 D91651 [0,0,0,0,2,0|0,0,1]=3 120 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 D94978 [0,0,0,0,2,0|0,0,1]=3 121 B12R1.256 O=[N+]([O-])C1=CC=C(B(O)O)C=C1 RB3032 [0,0,0,0,2,0|1,0,1]=4 122 B14R1.6355 O=C(O)CCC1=CC=CC([N+](=O)[O-])=C1 75620 [0,0,0,0,1,1|0,0,2]=4 123 B14R1.6355 O=C(O)COC1=CC=CC([N+](=O)[O-])=C1 A50580 [0,0,0,0,1,1|1,0,1]=4 124 B14R1.6355 O=C(O)\C=C\C1=CC=CC([N+](=O)[O-])=C1 29229 [0,0,0,0,1,1|0,0,0]=2 125 B14R1.6355 O=C(O)\C=C\C1=CC=CC([N+](=O)[O-])=C1 AC7873 [0,0,0,0,1,1|0,0,0]=2 126 B16R1.603 O=C(O)\C=C\C1=CC=C(\C=C\C(=O)O)C=C1 F11317 [0,0,0,0,0,2|1,0,1]=4