1 ace 6.11 C[C@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O 2 ace 9.00 [O-]C(=O)CCN1C(=O)N2CC=C[C@H](N2C1=O)C([O-])=O 3 ace 7.64 C[C@H](CS)C(=O)N1CCC[C@H]1C([O-])=O 4 ace 7.31 [O-]C(=O)[C@@H]1CCCN1C(=O)[C@@H]2CC[C@H]2S 5 ace 7.30 C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N2CCC[C@H]2C([O-])=O 6 ace 8.54 C[C@H]([NH2+][C@@H](CCCNC(=O)OCc1ccccc1)C([O-])=O)C(=O)N2CCC[C@H]2C([O-])=O 7 ace 8.52 C[C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)C([O-])=O)C(=O)N1CC([O-])=O 8 ace 8.92 C[C@H]([NH2+][C@@H](CCc1ccccc1)C([O-])=O)C(=O)N2CCC[C@H]2C([O-])=O 9 ace 8.92 [NH3+]CCCC[C@H]([NH2+][C@@H](CCc1ccccc1)C([O-])=O)C(=O)N2CCC[C@H]2C([O-])=O 10 ace 8.96 C[C@H]([NH2+][C@@H](CCc1cccc2ccccc12)C([O-])=O)C(=O)N3CCC[C@H]3C([O-])=O 11 ace 8.55 C[C@H]([NH2+][C@@H](CCc1ccc(O)cc1)C([O-])=O)C(=O)N2CCC[C@H]2C([O-])=O 12 ace 9.22 [O-]C(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]2CCC[C@@H]3SC[C@H](N3C2=O)C([O-])=O 13 ace 8.00 [O-]C(=O)[C@@H]1CCCN1C(=O)C[P@]([O-])(=O)C[C@H](Cc2ccccc2)NC(=O)c3ccccc3 14 ace 8.11 C[C@H]([NH2+][C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccccc2)C([O-])=O)C(=O)N3CCC[C@H]3C([O-])=O 15 ace 7.92 [O-]C(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc2ccccc2)NC(=O)c3ccccc3 16 ace 8.15 C[C@H](N[P@@]([O-])(=O)CCc1ccccc1)C(=O)N2CCC[C@H]2C([O-])=O 17 ace 5.55 [O-]C(=O)CNC(=O)CCS 18 ace 6.07 C[C@H](NC(=O)CCS)C([O-])=O 19 ace 6.37 [O-]C(=O)[C@H](Cc1ccccc1)NC(=O)CCS 20 ace 6.70 [O-]C(=O)[C@@H]1CCCN1C(=O)CCS 21 ace 2.70 [O-]C(=O)CCC(=O)NCC([O-])=O 22 ace 2.87 C[C@H](NC(=O)CCC([O-])=O)C([O-])=O 23 ace 4.96 C[C@H](CS)C(=O)N1CCC[C@@H]1C([O-])=O 24 ace 2.74 [O-]C(=O)[C@H]1CCCN1C(=O)CCS 25 ace 2.96 CC(C)[C@H](NC(=O)CCC([O-])=O)C([O-])=O 26 ace 2.98 CC[C@@H](C)[C@H](NC(=O)CCC([O-])=O)C([O-])=O 27 ace 3.26 [O-]C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C([O-])=O 28 ace 3.35 NCC(=O)N1CCC[C@H]1C([O-])=O 29 ace 3.38 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C([O-])=O 30 ace 3.89 CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1C([O-])=O 31 ace 3.22 NCC(=O)N[C@@H](Cc1ccccc1)C([O-])=O 32 ace 3.72 C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O 33 ace 4.28 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O 34 ace 4.77 CCOC(=O)[C@@H]1CCCN1C(=O)CCS 35 ace 2.96 [O-]C(=O)CCCCCS 36 ace 3.19 [O-]C(=O)[C@@H]1CCC(=O)N1CCCS 37 ace 3.48 [O-]C(=O)CCC(=O)N1CCC[C@H]1C([O-])=O 38 ace 5.31 C[C@H](CCC([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O 39 ace 5.62 C[C@H]([NH2+]CC([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O 40 ace 4.32 [O-]C(=O)[C@@H]1CCCN1C(=O)CCP([O-])([O-])=O 41 ace 7.92 [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N2CCC[C@H]2C([O-])=O)C([O-])=O 42 ace 6.41 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N2CCC[C@H]2C([O-])=O)C([O-])=O 43 ace 9.60 [O-]C(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C([O-])=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 44 ace 8.46 [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C([O-])=O)C([O-])=O 45 ace 7.82 [O-]C(=O)[C@@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C([O-])=O)NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4 46 ace 7.92 [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C([O-])=O)C([O-])=O 47 ace 7.00 [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C([O-])=O)C([O-])=O 48 ace 6.66 [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C([O-])=O)C([O-])=O 49 ace 7.44 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2CCC[C@H]2C([O-])=O 50 ace 9.31 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C([O-])=O)C3CCCCC3 51 ace 9.88 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C([O-])=O)c3ccccc3 52 ace 9.05 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C([O-])=O)Cc3ccccc3 53 ace 9.28 [NH3+]CCCC[C@H](O[P@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C([O-])=O)Sc3ccccc3 54 ace 9.28 CS[C@@H]1C[C@H](N(C1)C(=O)[C@H](CCCC[NH3+])O[P@]([O-])(=O)CCCCc2ccccc2)C([O-])=O 55 ace 8.72 CS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCC[NH3+])O[P@]([O-])(=O)CCCCc2ccccc2)C([O-])=O 56 ace 8.59 CSC1(C[C@H](N(C1)C(=O)[C@H](CCCC[NH3+])O[P@]([O-])(=O)CCCCc2ccccc2)C([O-])=O)SC 57 ace 9.06 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@H](O)C[C@H]2C([O-])=O 58 ace 7.80 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@@H](O)C[C@H]2C([O-])=O 59 ace 9.20 [NH3+]CCCC[C@H](O[P@]([O-])(=O)CCCCc1ccccc1)C(=O)N2CC3(C[C@H]2C([O-])=O)SCCS3 60 ace 8.97 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N(CC([O-])=O)c2ccccc2 61 ace 9.53 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N(CC([O-])=O)C2CCCCC2 62 ace 9.53 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2[C@@H](Cc3ccccc23)C([O-])=O 63 ace 4.72 [O-]C(=O)[C@H](CS)NC(=O)CS 64 ace 5.10 C[C@@H](S)C(=O)N[C@@H](CS)C([O-])=O 65 ace 3.27 C[C@H](S)C(=O)N[C@H](CS)C([O-])=O 66 ace 2.14 CC(C)(S)C(=O)N[C@@H](CS)C([O-])=O 67 ace 4.17 [O-]C(=O)[C@H](CS)NC(=O)CCS 68 ace 3.64 [O-]C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCS 69 ace 6.12 [O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS 70 ace 7.19 C[C@@H](S)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O 71 ace 6.44 C[C@H](S)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O 72 ace 5.34 [O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCS 73 ace 7.46 C[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O 74 ace 4.48 C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O 75 ace 6.15 [O-]C(=O)[C@@H]1C=CCN2N1C(=O)N(CS)C2=O 76 ace 7.42 [O-]C(=O)[C@@H]1CCCN2N1C(=O)[C@@H](CS)CC2=O 77 ace 7.00 C[C@@]1(CCS)C(=O)N2CCC[C@H](N2C1=O)C([O-])=O 78 ace 8.43 C[C@H](CS)C(=O)N1[C@@H](Cc2ccccc12)C([O-])=O 79 ace 8.22 Oc1ccccc1[C@H]2SC[C@H](N2C(=O)CCS)C([O-])=O 80 ace 6.34 [O-]C(=O)CCC1=CC(=O)[C@H]2CC[C@H](N2C1=O)C([O-])=O 81 ace 8.05 C[C@H](CS)C(=O)N1[C@@H](CCC1=O)C([O-])=O 82 ace 7.19 [O-]C(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCC[C@H]2S 83 ace 8.77 [O-]C(=O)CN1C(=O)[C@H](CCc2ccccc12)[NH2+][C@@H](CCc3ccccc3)C([O-])=O 84 ace 9.64 C[C@H]([NH2+][C@@H](CCC(=O)Nc1ccc(I)cc1)C([O-])=O)C(=O)N2CCC[C@H]2C([O-])=O 85 ace 8.40 [O-]C(=O)[C@@H]1CC3(CN1C(=O)C[P@]([O-])(=O)CCCCc2ccccc2)SCCS3 86 ace 8.52 C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)N3CCC[C@H]3C([O-])=O 87 ace 8.54 C[C@H]([NH2+][C@@H]([C@@H]1CCCN1C(=O)c2ccccc2)C([O-])=O)C(=O)N3CCC[C@H]3C([O-])=O 88 ace 5.80 CC(C)[C@H](NC(=O)CCS)C([O-])=O 89 ace 6.19 [O-]C(=O)C1=CCCN1C(=O)CCS 90 ace 2.70 [O-]C(=O)CCNC(=O)CCS 91 ace 4.51 CN([C@@H](Cc1ccccc1)C([O-])=O)C(=O)CCS 92 ace 5.52 CN(CC([O-])=O)C(=O)CCS 93 ace 3.21 CC(C)C[C@H](NC(=O)CCC([O-])=O)C([O-])=O 94 ace 3.64 C[C@H](N)C(=O)N1CCC[C@H]1C([O-])=O 95 ace 3.03 CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O 96 ace 3.62 C[C@H](CS)C(=O)N1CCCC1 97 ace 3.62 [O-]C(=O)[C@@H]1CCCN1CCCS 98 ace 5.62 [O-]C(=O)CCC(=O)CCS 99 ace 4.41 CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCS 100 ace 6.15 [O-]C(=O)[C@H](Cc1ccccc1)OC(=O)CCS 101 ace 4.99 C[C@H](CC([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O 102 ace 5.08 [O-]C(=O)[C@@H]1CCCN1C(=O)CP([O-])([O-])=O 103 ace 5.60 [O-]C(=O)[C@@H](CCC(=O)N1CCC[C@H]1C([O-])=O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 104 ace 5.60 [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N2[C@@H](Cc3ccccc23)C([O-])=O)C([O-])=O 105 ace 8.49 [NH3+]CCCC[C@@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@@H](C[C@H]2C([O-])=O)C3CCCCC3 106 ace 6.47 [NH3+]CCCC[C@@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@@H](C[C@H]2C([O-])=O)c3ccccc3 107 ace 9.11 [NH3+]CCCC[C@H](O[P@]([O-])(=O)CCCCc1ccccc1)C(=O)N2C[C@@H](C[C@H]2C([O-])=O)Sc3ccccc3 108 ace 9.54 COc1ccc(cc1OC)N(CC([O-])=O)C(=O)[C@H](CCCC[NH3+])O[P@@]([O-])(=O)CCCCc2ccccc2 109 ace 9.94 [NH3+]CCCC[C@H](O[P@@]([O-])(=O)CCCCc1ccccc1)C(=O)N(CC([O-])=O)c2ccc3OCOc3c2 110 ace 3.59 [O-]C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS 111 ace 4.42 CC(C)(S)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O 112 ace 3.00 [O-]C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCS 113 ache 6.25 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3 114 ache 7.52 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C(=O)c4ccccc14 115 ache 5.52 [O-][N+](=O)c1ccc2C(=O)N(C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 116 ache 7.90 [O-][N+](=O)c1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 117 ache 6.36 COc1ccc(C[N@H+]2CC[C@H](CCN3C(=O)c4ccc(cc4C3=O)[N+]([O-])=O)CC2)cc1 118 ache 6.62 [O-][N+](=O)c1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccc(Cl)cc4)C(=O)c2c1 119 ache 5.17 C[N@H+]1CC[C@H](CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)CC1 120 ache 8.55 CC(=O)Nc1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 121 ache 8.92 O=C(Nc1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1)c5ccccc5 122 ache 6.77 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C(=O)c3ccccc3 123 ache 8.10 COc1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 124 ache 7.96 Nc1cccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c12 125 ache 5.96 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C=Cc4ccccc14 126 ache 6.00 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)CCc4ccccc14 127 ache 7.77 O=C1Cc2ccccc2CN1CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4 128 ache 6.10 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C[NH2+]c4ccccc14 129 ache 8.38 O=C1Nc2ccccc2C(=O)N1CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4 130 ache 7.46 O=C(N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3)c4ccccc4 131 ache 6.23 COc1ccc(cc1)C(=O)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)c4ccccc4 132 ache 7.74 Fc1ccc(cc1)C(=O)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)c4ccccc4 133 ache 8.27 [O-][N+](=O)c1ccc(cc1)C(=O)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)c4ccccc4 134 ache 5.03 O=C(C1CCCCC1)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)c4ccccc4 135 ache 7.28 CC(=O)N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3 136 ache 6.08 CCC(=O)N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3 137 ache 7.34 COc1cccc(c1)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C(C)=O 138 ache 6.69 CC(=O)N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccc(F)cc3 139 ache 4.92 CCN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3 140 ache 6.97 CC(=O)N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccncc3 141 ache 7.01 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)Cc4ccccc14 142 ache 4.34 C(C[C@H]1CC[N@@H+](CC1)Cc2ccccc2)NCc3ccccc3 143 ache 6.89 CCN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C(=O)c3ccccc3 144 ache 6.03 O=C(N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)Cc3ccccc3)c4ccccc4 145 ache 9.22 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Cc4ccccc4 146 ache 9.52 CCN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Cc4ccccc4 147 ache 4.59 CN(CCC1CC[NH2+]CC1)C(=O)c2ccccc2 148 ache 6.11 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2C)C(=O)c3ccccc3 149 ache 6.84 CN(CC[C@H]1CC[N@@H+](CC1)Cc2cccc(C)c2)C(=O)c3ccccc3 150 ache 4.39 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccc(C)cc2)C(=O)c3ccccc3 151 ache 4.85 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2[N+]([O-])=O)C(=O)c3ccccc3 152 ache 5.48 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccc(cc2)[N+]([O-])=O)C(=O)c3ccccc3 153 ache 4.28 CN(CCC1CCN(CC1)C(=O)c2ccccc2)C(=O)c3ccccc3 154 ache 4.42 CN(CC[C@H]1CC[N@@H+](CC1)CC2CC2)C(=O)c3ccccc3 155 ache 6.39 CN(CC[C@H]1CC[N@@H+](CC1)CC2CCCCC2)C(=O)c3ccccc3 156 ache 6.33 Cc1cccc(c1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 157 ache 6.74 Cc1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 158 ache 6.64 [O-][N+](=O)c1cccc(c1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 159 ache 7.26 [O-][N+](=O)c1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 160 ache 6.92 O=Cc1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 161 ache 6.74 Clc1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 162 ache 7.07 Fc1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 163 ache 7.29 CC(=O)c1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 164 ache 7.54 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccc(cc3)S(=O)(=O)Cc4ccccc4 165 ache 6.10 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccn3 166 ache 7.41 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccncc3 167 ache 5.80 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C3CCCCC3 168 ache 5.68 O=C1[C@@H](CCc2ccccc12)C[C@H]3CC[N@@H+](CC3)Cc4ccccc4 169 ache 4.82 O=C1[C@@H](CCCc2ccccc12)C[C@H]3CC[N@@H+](CC3)Cc4ccccc4 170 ache 8.24 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2cc1OC 171 ache 8.19 COc1ccc2C(=O)[C@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)Cc2c1 172 ache 7.92 COc1cccc2C(=O)[C@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)Cc12 173 ache 7.07 COc1ccc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1OC 174 ache 7.60 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c(OC)c1 175 ache 7.44 COc1ccc(OC)c2C(=O)[C@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)Cc12 176 ache 7.70 COc1ccc2C(=O)[C@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)Cc2c1OC 177 ache 5.48 COc1cc2C[C@@H]([C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2cc1OC 178 ache 7.52 COc1cc2C[C@H](CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2cc1OC 179 ache 6.32 COc1cc2C[C@@H](C[N@H+]3CC[CH+](CC3)Cc4ccccc4)C(=O)c2cc1OC 180 ache 8.00 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4C)C(=O)c2cc1OC 181 ache 8.70 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4cccc(C)c4)C(=O)c2cc1OC 182 ache 7.40 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccc(C)cc4)C(=O)c2cc1OC 183 ache 6.80 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4[N+]([O-])=O)C(=O)c2cc1OC 184 ache 7.00 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccc(cc4)[N+]([O-])=O)C(=O)c2cc1OC 185 ache 8.05 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)CC4CCCCC4)C(=O)c2cc1OC 186 ache 6.82 O=C1[C@H](C[C@H]2CC[N@@H+](CC2)Cc3ccccc3)Cc4ccccc14 187 ache 4.57 [O-][N+](=O)c1ccc2C(=O)N([C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 188 ache 8.06 Nc1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 189 ache 8.66 O=C(NCc1ccccc1)c2ccc3C(=O)N(CC[C@H]4CC[N@@H+](CC4)Cc5ccccc5)C(=O)c3c2 190 ache 8.62 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C(=O)c4cc(ccc14)C(=O)c5ccccc5 191 ache 8.05 [O-][N+](=O)c1cccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c12 192 ache 6.47 O=C(Nc1cccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c12)c5ccccc5 193 ache 7.89 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C(=O)c4ncccc14 194 ache 5.80 C1C[N@@H+](CC[C@H]1CC[N@@H+]2CCc3ccccc3C2)Cc4ccccc4 195 ache 7.64 O=C1Cc2ccccc2C(=O)N1CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4 196 ache 5.92 O=C1N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C=Nc4ccccc14 197 ache 7.89 O=C1Nc2ccccc2CN1CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4 198 ache 8.35 Clc1ccc2C(=O)N(CC[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)Nc2c1 199 ache 7.19 O=C(N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3)c4ccncc4 200 ache 6.15 COc1ccc(cc1)N(CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3)C(C)=O 201 ache 7.19 CC(=O)N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3cccc(F)c3 202 ache 6.18 CN(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)C(C)=O 203 ache 6.57 O=C1CCCCN1CC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 204 ache 9.22 O=C(N(CC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3)c4ccc(cc4)S(=O)(=O)Cc5ccccc5 205 ache 6.43 CN(CC[C@H]1CC[N@@H+](CC1)Cc2cccc(c2)[N+]([O-])=O)C(=O)c3ccccc3 206 ache 4.89 CN(CC[C@H]1CC[N@@H+](CC1)CCc2ccccc2)C(=O)c3ccccc3 207 ache 4.27 CN(CC[C@H]1CC[N@@H+](CC1)C\C=C\c2ccccc2)C(=O)c3ccccc3 208 ache 4.62 CN(CC[C@H]1CC[N@@H+](CC1)CC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)c5ccccc5 209 ache 6.00 Cc1ccccc1C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 210 ache 6.06 [O-][N+](=O)c1ccccc1C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 211 ache 7.06 COc1ccc(cc1)C(=O)NCC[C@H]2CC[N@@H+](CC2)Cc3ccccc3 212 ache 7.16 O=C(NCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3cccnc3 213 ache 6.28 O=C(CCC[C@H]1CC[N@@H+](CC1)Cc2ccccc2)c3ccccc3 214 ache 7.89 COc1cc2C\C(=C\[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2cc1OC 215 ache 4.30 COc1cc2C[C@@H](CC3CCN(CC3)C(=O)c4ccccc4)C(=O)c2cc1OC 216 ache 5.27 COc1cc2C[C@@H](CC3CC[NH2+]CC3)C(=O)c2cc1OC 217 ache 7.09 COc1ccc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c1 218 ache 7.89 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2c(OC)c1OC 219 ache 7.03 COc1cc2C[C@@H](C[N@H+]3CC[N@@H+](CC3)Cc4ccccc4)C(=O)c2cc1OC 220 ache 8.40 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4cccc(c4)[N+]([O-])=O)C(=O)c2cc1OC 221 ache 6.74 COc1cc2C[C@@H](C[C@@H]3CC[N@@H+](CC3)CCc4ccccc4)C(=O)c2cc1OC 222 ache 6.52 COc1cc2C[C@@H](C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)[C@H](O)c2cc1OC 223 ache 5.36 COc1cc2CC(C[C@H]3CC[N@@H+](CC3)Cc4ccccc4)=Cc2cc1OC 224 bzr 8.92 C[C@@H]1N=C(c2ccccc2Cl)c3cc(ccc3NC1=O)[N+]([O-])=O 225 bzr 8.82 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3F)c2c1 226 bzr 8.80 Fc1cccc(F)c1C2=NCC(=O)Nc3ccc(Cl)cc23 227 bzr 8.74 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 228 bzr 8.74 Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 229 bzr 8.46 [O-][N+](=O)c1ccc2NC(=O)CN=C(c2c1)c3ccccc3C(F)(F)F 230 bzr 8.46 C[C@@H]1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O 231 bzr 8.44 Fc1ccccc1C2=NCC(=O)Nc3ccc(Cl)c(Cl)c23 232 bzr 8.42 CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+]([O-])=O 233 bzr 8.39 CN1C(=O)CN=C(c2cc(Cl)ccc12)c3c(F)cccc3F 234 bzr 8.29 CN1C(=O)CN=C(c2ccccc2F)c3cc(F)ccc13 235 bzr 8.28 CN1C(=O)[C@H](Cl)N=C(c2ccccc2F)c3cc(Cl)ccc13 236 bzr 8.13 Fc1ccc2NC(=O)CN=C(c3ccccc3F)c2c1 237 bzr 8.09 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 238 bzr 8.08 NCCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 239 bzr 8.03 Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 240 bzr 7.89 FC(F)(F)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1 241 bzr 7.85 CN1C(=O)CN=C(c2ccccc2F)c3ccccc13 242 bzr 7.85 Cc1c(Cl)ccc2NC(=O)CN=C(c3ccccc3F)c12 243 bzr 7.80 CN1C(=O)[C@H](O)N=C(c2ccccc2)c3cc(Cl)ccc13 244 bzr 7.77 CN1C(=O)CN=C(c2ccccc2)c3cc(F)ccc13 245 bzr 7.74 O[C@@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O 246 bzr 7.72 Fc1cccc(F)c1C2=NCC(=O)Nc3ccccc23 247 bzr 7.72 Cc1ccc2c(NC(=O)CN=C2c3ccccc3F)c1 248 bzr 7.68 Fc1ccccc1C2=NCC(=O)Nc3ccccc23 249 bzr 7.62 C=Cc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 250 bzr 7.61 OCCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 251 bzr 7.55 Fc1cccc(F)c1C2=NCC(=O)Nc3cc(Cl)ccc23 252 bzr 7.47 Clc1ccc2NC(=O)CN=C(C3=CCCCC3)c2c1 253 bzr 7.44 CCc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 254 bzr 7.40 Fc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 255 bzr 7.40 CN1C(=O)CN=C(c2ccccc2)c3c(Cl)c(Cl)ccc13 256 bzr 7.37 O=Cc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 257 bzr 7.31 C[C@@H]1N=C(c2ccccc2)c3cc(Cl)ccc3N(Cl)C1=O 258 bzr 7.19 CN1C(=O)CN=C(c2ccccc2F)c3cc(N)ccc13 259 bzr 7.14 CN1C(=O)CN=C(c2ccccc2F)c3cccc(Cl)c13 260 bzr 7.12 Nc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 261 bzr 7.04 FC(F)(F)CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 262 bzr 7.03 Clc1ccc2N(CC#C)C(=O)CN=C(c3ccccc3)c2c1 263 bzr 7.02 CN1C(=O)CN=C(c2ccccc2F)c3cc(NO)ccc13 264 bzr 6.82 CN1C(=O)CN=C(c2ccccc2F)c3c(Cl)cccc13 265 bzr 6.59 NCCN1C(=O)CN=C(c2ccccc2)c3ccccc13 266 bzr 6.49 Clc1cccc2NC(=O)CN=C(c3ccccc3)c12 267 bzr 6.46 O=C1CN=C(c2ccccc2)c3ccccc3N1 268 bzr 6.42 CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)C#N 269 bzr 6.41 Nc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 270 bzr 6.34 CN1C(=O)CN=C(c2ccccc2)c3cc(N)ccc13 271 bzr 6.68 Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1 272 bzr 8.40 C[C@@H]1N=C(c2ccccc2F)c3cc(ccc3-n4c(C)nnc14)[N+]([O-])=O 273 bzr 8.40 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4-n12 274 bzr 8.37 Cc1nnc2CN=C(c3ccccc3Cl)c4ccccc4-n12 275 bzr 8.07 Clc1ccc-2c(c1)C(=NCc3nncn-23)c4ccccc4 276 bzr 7.70 Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12 277 bzr 6.87 CN(C)Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12 278 bzr 8.54 NCc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)sc4-n12 279 bzr 8.51 CCc1cc2C(=NCc3nnc(C)n3-c2s1)c4ccccc4Cl 280 bzr 8.46 Cc1nnc2CN=C(c3ccccc3Cl)c4ccsc4-n12 281 bzr 8.46 NC(=O)c1ncn-2c1CN=C(c3ccccc3F)c4cc(Cl)ccc-24 282 bzr 8.32 Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-n12 283 bzr 8.13 COC(=O)c1ncn-2c1CN=C(c3ccccc3F)c4cc(Cl)ccc-24 284 bzr 7.89 OC(=O)c1ncn-2c1CN=C(c3ccccc3Cl)c4cc(Cl)ccc-24 285 bzr 7.82 CCOC(=O)c1ncn-2c1CN=C(c3ccccc3)c4cc(Cl)ccc-24 286 bzr 7.60 [O-][N+](=O)c1ccc2NC(=O)CC=C(c3ccccc3Cl)c2c1 287 bzr 8.19 Cc1nnc2CC=C(c3ccccc3F)c4cc(Cl)ccc4-n12 288 bzr 7.72 Fc1ccccc1C2=CCc3nncn3-c4ccc(Cl)cc24 289 bzr 7.38 Cc1nnc2CC=C(c3ccccc3)c4cc(Cl)ccc4-n12 290 bzr 7.43 Clc1ccccc1C2=NCC(=O)Nc3sccc23 291 bzr 7.15 Clc1cc2c(NC(=O)CN=C2c3ccccc3)s1 292 bzr 8.60 CCOC(=O)c1ncn-2c1CC=C(c3ccccc3)c4ccccc-24 293 bzr 8.38 CCOC(=O)c1ncn-2c1CC=C(c3ccccc3F)c4ccccc-24 294 bzr 7.80 CCOC(=O)c1ncn-2c1CC=C(c3ccccc3F)c4cc(Cl)ccc-24 295 bzr 8.55 Clc1ccc-2c(c1)C(=NCc3cncnc-23)c4ccccc4Cl 296 bzr 8.40 Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-c2n1 297 bzr 7.96 Cc1ncc2CN=C(c3ccccc3)c4cc(Cl)ccc4-c2n1 298 bzr 8.28 Clc1ccccc1C2=NCc3n[nH]nc3-c4ccccc24 299 bzr 7.96 Clc1ccc-2c(c1)C(=NCc3n[nH]nc-23)c4ccccc4 300 bzr 6.38 C1N=C(c2ccccc2)c3ccccc3-c4n[nH]nc14 301 bzr 8.85 CCCOC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 302 bzr 8.64 Clc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OCC5CC5 303 bzr 8.60 CC(C)OC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 304 bzr 8.54 CC[C@@H](C)OC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 305 bzr 8.51 CC(C)(C)OC(=O)c1ncn2-c3ccc(F)c(Cl)c3C(=O)N4CCC[C@H]4c12 306 bzr 8.49 CC(C)(C)OC(=O)c1ncn2-c3ccccc3C(=O)N4CCC[C@H]4c12 307 bzr 8.49 Cc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OC(C)(C)C 308 bzr 8.48 CC(C)(C)OC(=O)c1ncn2-c3cccc(c3C(=O)N4CCC[C@H]4c12)C(F)(F)F 309 bzr 8.47 CSc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OC(C)(C)C 310 bzr 8.40 Clc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OC5CCCCC5 311 bzr 8.28 Clc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)Oc5ccccc5 312 bzr 8.21 CC(C)(C)OC(=O)c1ncn2-c3cccc(F)c3C(=O)N4CCC[C@H]4c12 313 bzr 8.20 CC(C)COC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 314 bzr 8.19 CCOC(=O)c1ncn2-c3ccccc3C(=O)N4CCC[C@H]4c12 315 bzr 8.11 CC(C)(C)OC(=O)c1ncn2-c3ccc(F)cc3C(=O)N4CCC[C@H]4c12 316 bzr 8.00 CCc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OC(C)(C)C 317 bzr 7.34 COc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OC(C)(C)C 318 bzr 7.21 CCOC(=O)c1ncn2-c3ccc(Cl)cc3C(=O)N4CCC[C@H]4c12 319 bzr 8.57 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3c(Cl)cccc-23 320 bzr 8.52 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3ccccc-23 321 bzr 8.62 COC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CC[C@H]4c12 322 bzr 8.46 O[C@@H]1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O 323 bzr 8.28 Fc1ccccc1C2=NCC(=O)Nc3ccc(cc23)N=[N+]=[N-] 324 bzr 8.15 C[C@@H]1N=C(c2ccccc2F)c3cc(ccc3N(C)C1=O)[N+]([O-])=O 325 bzr 8.00 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1 326 bzr 7.74 Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1 327 bzr 7.74 CC(=O)c1ccc2NC(=O)CN=C(c3ccccc3F)c2c1 328 bzr 7.52 CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)C#N 329 bzr 7.47 CN1C(=O)CN=C(C2=CCCCC2)c3cc(Cl)ccc13 330 bzr 7.43 Clc1cc(Cl)c2c(NC(=O)CN=C2c3ccccc3)c1 331 bzr 7.23 OC(=O)[C@@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O 332 bzr 7.06 Clc1ccc2NC(=O)CN=C(C3CCCCC3)c2c1 333 bzr 6.96 Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1 334 bzr 6.85 OC[C@H](O)CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 335 bzr 6.52 CN1C(=O)CN=C(c2ccccc2F)c3c(Cl)cc(Cl)cc13 336 bzr 6.52 CC(C)(C)N1C(=O)CN=C(c2ccccc2Cl)c3cc(ccc13)[N+]([O-])=O 337 bzr 6.37 COCN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+]([O-])=O 338 bzr 6.34 CNC(=O)Nc1ccc2N(C)C(=O)CN=C(c3ccccc3F)c2c1 339 bzr 6.21 CC(C)(C)N1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 340 bzr 6.89 CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13 341 bzr 8.48 C[C@@H]1N=C(c2ccccc2F)c3cc(Cl)ccc3-n4c(C)nnc14 342 bzr 8.38 OCc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12 343 bzr 8.85 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)sc4-n12 344 bzr 8.35 OCc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-n12 345 bzr 7.92 CC(C)OC(=O)c1ncn-2c1C[N+]([O-])=C(c3ccccc3F)c4cc(Cl)ccc-24 346 bzr 7.85 CC(C)(C)OC(=O)c1ncn-2c1CN=C(c3ccccc3)c4c(Cl)cccc-24 347 bzr 7.59 CN(C)Cc1nc(C(N)=O)c2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4-n12 348 bzr 7.15 Fc1ccccc1C2=CCC(=O)Nc3ccc(Cl)cc23 349 bzr 8.30 Cc1nnc2CC=C(c3ccccc3Cl)c4cc(ccc4-n12)[N+]([O-])=O 350 bzr 8.25 NCc1nnc2CC=C(c3ccccc3F)c4cc(Cl)ccc4-n12 351 bzr 6.39 Cc1nnc2CC=C(c3ccccc3)c4ccccc4-n12 352 bzr 7.61 Cc1nnc2CC[C@H](c3ccccc3F)c4cc(Cl)ccc4-n12 353 bzr 8.41 Clc1cc2c(NC(=O)CN=C2c3ccccc3Cl)s1 354 bzr 8.82 COC(=O)c1ncn-2c1CC=C(c3ccccc3)c4ccccc-24 355 bzr 7.82 NC(=O)c1ncn-2c1CC=C(c3ccccc3F)c4cc(Cl)ccc-24 356 bzr 6.64 Fc1ccccc1C2=CCc3cncn3-c4ccc(Cl)cc24 357 bzr 7.12 Fc1ccccc1C2=NCC=Cc3ccc(Cl)cc23 358 bzr 8.55 Nc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-c2n1 359 bzr 8.72 Fc1ccccc1C2=NCc3n[nH]nc3-c4ccc(Cl)cc24 360 bzr 8.77 CCOC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 361 bzr 8.77 Clc1cccc-2c1C(=O)N3CCC[C@H]3c4c(ncn-24)C(=O)OCC=C 362 bzr 8.55 CC(C)(C)OC(=O)c1ncn2-c3cccc(c3C(=O)N4CCC[C@H]4c12)[N+]([O-])=O 363 bzr 5.52 NC(=O)c1ncn2-c3cccc(Cl)c3C(=O)N4CCC[C@H]4c12 364 bzr 8.17 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cc(Cl)ccc-23 365 bzr 8.03 Clc1cc2NC(=O)CN=C(c3ccccc3Cl)c2s1 366 bzr 6.77 Cc1c2c(NC(=O)CN=C2c3ccccc3)cn1C 367 bzr 6.14 CN1CC(=O)Nc2ccc(cc2[C@H]1c3ccccc3Cl)[N+]([O-])=O 368 bzr 6.45 CNC1=Nc2ccc(Cl)cc2C(c3ccccc3)=[N+]([O-])C1 369 bzr 6.51 [O-][N+]1=C(c2ccccc2)c3cc(Cl)ccc3NC(=O)C1 370 bzr 6.06 CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13 371 bzr 5.00 CC(=O)Nc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 372 bzr 5.00 CN(C)S(=O)(=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1 373 bzr 5.00 CC1=NCC(=O)Nc2ccccc12 374 bzr 5.00 CNC(=O)[C@H](C)N1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 375 bzr 5.00 CN1C(=O)CN=C(c2ccccc2)c3cc(CN)ccc13 376 bzr 5.00 CN1C(=O)C(C)(C)N=C(c2ccccc2)c3cc(Cl)ccc13 377 bzr 5.00 OC(=O)CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 378 bzr 5.00 CN1C(=O)CN=C(c2ccccc2F)c3c(N)cc(Cl)cc13 379 bzr 5.00 NC(=O)c1ncn2-c3ccccc3C(=O)N4CCC[C@H]4c12 380 bzr 5.00 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3ccc(Cl)cc-23 381 bzr 5.00 CN1Cc2c(ncn2-c3ccccc3C1=O)C(N)=O 382 bzr 5.00 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cccc(Cl)c-23 383 bzr 5.00 Clc1ccc2NC(=O)CN[C@H](c3ccccc3)c2c1 384 bzr 5.00 CN1C(=O)CN[C@H](c2ccccc2)c3cc(Cl)ccc13 385 bzr 5.00 O=C1CN[C@H](c2ccccc2)c3ccccc3N1 386 bzr 5.00 CN1CC(=O)N(C)c2ccc(Cl)cc2[C@H]1c3ccccc3F 387 cox2 7.70 Cc1c(Br)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 388 cox2 7.66 Cc1c(-c2ccc(Cl)cc2)n(nc1C(F)(F)F)-c3ccc(cc3)S(N)(=O)=O 389 cox2 4.20 Cc1cc(-c2ccccc2)n(n1)-c3ccc(cc3)S(N)(=O)=O 390 cox2 7.22 Cc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccccc3 391 cox2 7.10 Cc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(cc3)C(F)(F)F 392 cox2 7.22 Cc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 393 cox2 5.84 Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3)[C@H](O)C(F)(F)F 394 cox2 6.12 Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3)C#N 395 cox2 6.92 Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3)C(=O)C(F)(F)F 396 cox2 7.22 Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3)S(=O)(=O)C(F)(F)F 397 cox2 6.60 Cc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)c(F)c3 398 cox2 6.28 Cc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1[C@H]3CC[C@H](F)CC3 399 cox2 7.28 Cc1cc(cc2OCOc12)-c3cc(nn3-c4ccc(cc4)S(N)(=O)=O)C(F)(F)F 400 cox2 8.82 Cc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(C)(=O)=O 401 cox2 8.52 Cc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 402 cox2 7.82 CC1(C)CC(=C(C1)c2ccc(cc2)S(C)(=O)=O)c3ccc(F)cc3 403 cox2 8.15 Cc1ccc(cc1)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 404 cox2 7.16 Cc1ccccc1-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 405 cox2 7.40 Cc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 406 cox2 7.12 Cc1ccc(cc1)-c2c(cnn2-c3ccc(cc3)S(N)(=O)=O)C#N 407 cox2 6.10 Cc1ccccc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 408 cox2 6.70 Cc1ccccc1-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 409 cox2 8.30 Cc1ccc(cc1C)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 410 cox2 6.48 Cc1ccc(cc1C)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 411 cox2 8.52 Cc1ccc(cc1Cl)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 412 cox2 7.52 Cc1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 413 cox2 8.52 Cc1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 414 cox2 8.30 Cc1cc(ccc1F)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 415 cox2 8.70 Cc1cc(ccc1F)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 416 cox2 6.77 Cc1cc(ccc1F)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 417 cox2 4.00 Cc1ccc(C)c(c1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 418 cox2 4.00 Cc1cccc(Cl)c1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 419 cox2 6.77 Cc1ccc(cn1)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 420 cox2 7.29 Cc1ccc(cn1)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 421 cox2 5.54 Cc1cccc(n1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 422 cox2 6.38 Cc1cccc(n1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 423 cox2 4.00 Cc1ccc(F)cc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 424 cox2 6.85 Cc1c(CC(F)(F)F)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 425 cox2 7.40 Cc1cc(Cl)cc(c1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 426 cox2 4.28 Cc1ccc(nc1)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 427 cox2 6.48 Cc1ccc(nc1)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 428 cox2 5.24 Cc1cccnc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 429 cox2 5.89 Cc1ccc(nc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 430 cox2 5.81 Cc1cccnc1-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 431 cox2 6.14 Cc1ccc(nc1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 432 cox2 5.48 Cc1ccc(o1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 433 cox2 7.12 Cc1cc(F)ccc1C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 434 cox2 6.28 Cc1ccnc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 435 cox2 6.36 Cc1ccnc(c1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 436 cox2 6.39 Cc1cc(no1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 437 cox2 5.41 Cc1c(CO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 438 cox2 5.49 Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 439 cox2 5.96 Cc1ccsc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 440 cox2 6.62 Cc1cn(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c3ccc(Cl)cc3 441 cox2 4.10 Cc1cn(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c3cccnc3 442 cox2 4.33 Cc1cnn(-c2ccc(cc2)S(N)(=O)=O)c1-c3ccccc3 443 cox2 6.96 Cc1csc(n1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 444 cox2 7.42 Cc1nc(-c2ccccc2)c(s1)-c3ccc(cc3)S(N)(=O)=O 445 cox2 6.92 Cc1nc(-c2ccc(cc2)S(C)(=O)=O)c(s1)-c3ccc(F)cc3 446 cox2 8.30 Cc1nc(-c2ccc(Cl)cc2)c(s1)-c3ccc(cc3)S(N)(=O)=O 447 cox2 5.02 Cc1ncccc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 448 cox2 5.55 Cc1ncccc1-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 449 cox2 5.38 Cc1nc(co1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 450 cox2 6.03 Cc1nc(cs1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 451 cox2 6.28 Cc1nc(cs1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 452 cox2 6.37 Cc1ncc(s1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 453 cox2 7.55 Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c(c1Cl)-c3ccccc3 454 cox2 8.30 Cc1onc(-c2ccccc2)c1-c3ccc(cc3)S(N)(=O)=O 455 cox2 4.00 CCc1ccc(-c2ccc(cc2)S(C)(=O)=O)n1-c3ccc(F)cc3 456 cox2 6.07 CCc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 457 cox2 6.37 CCc1cc(ccc1OC)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 458 cox2 7.55 CCc1c(nn(-c2ccc(cc2)S(N)(=O)=O)c1-c3ccc(Cl)cc3)C(F)(F)F 459 cox2 7.64 CCc1nc(-c2ccc(F)cc2)c(s1)-c3ccc(cc3)S(C)(=O)=O 460 cox2 6.96 CC(C)(C)c1nc(-c2ccc(F)cc2)c(s1)-c3ccc(cc3)S(C)(=O)=O 461 cox2 6.89 CCn1nc(-c2ccc(cc2)S(C)(=O)=O)c(-c3ccc(F)cc3)c1C(F)(F)F 462 cox2 7.48 CCn1nc(-c2ccc(cc2)S(N)(=O)=O)c(-c3ccc(F)cc3)c1C(F)(F)F 463 cox2 5.79 CC(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c3ccc(F)cc3 464 cox2 6.19 CCOc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 465 cox2 5.54 CC(=O)c1ccc(cc1)-n2c(C)ccc2-c3ccc(cc3)S(C)(=O)=O 466 cox2 5.24 CCOC(=O)c1cn(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c3ccc(Cl)cc3 467 cox2 6.33 CC(=O)OCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c3ccc(F)cc3 468 cox2 4.00 CCS(=O)(=O)c1ccc(cc1)-n2cccc2-c3ccc(cc3)S(C)(=O)=O 469 cox2 5.96 Cn1cc(-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F)c4ccccc14 470 cox2 7.80 CNc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 471 cox2 5.83 CNc1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 472 cox2 6.04 CNc1cccc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 473 cox2 7.57 CNc1ccc(cc1Cl)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 474 cox2 6.18 CNc1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 475 cox2 4.84 CN(C)c1ccccc1-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 476 cox2 8.33 CN(C)c1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 477 cox2 5.49 CN(C)c1cccc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 478 cox2 6.15 CN(C)c1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 479 cox2 8.30 CN(C)c1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 480 cox2 8.70 CN(C)c1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(N)(=O)=O 481 cox2 8.10 CN(C)c1ccc(cc1Cl)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 482 cox2 8.22 CN(C)c1ccc(cc1Cl)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 483 cox2 5.98 CN(C)c1cc(ccc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 484 cox2 6.49 CN(C)c1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 485 cox2 8.24 CN(C)c1ccc(cc1F)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 486 cox2 4.00 CN(C)S(=O)(=O)c1ccc(cc1)-n2cccc2-c3ccc(cc3)S(C)(=O)=O 487 cox2 4.00 CN(C)S(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 488 cox2 4.00 CNS(=O)(=O)c1ccc(cc1)-n2cccc2-c3ccc(cc3)S(C)(=O)=O 489 cox2 4.00 CNS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 490 cox2 7.10 COc1c(-c2ccccc2)n(nc1C(F)(F)F)-c3ccc(cc3)S(N)(=O)=O 491 cox2 4.00 COc1cc(-c2ccccc2)n(n1)-c3ccc(cc3)S(N)(=O)=O 492 cox2 8.30 COc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(C)(=O)=O 493 cox2 9.00 COc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(N)(=O)=O 494 cox2 8.30 COc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 495 cox2 8.70 COc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(N)(=O)=O 496 cox2 7.82 COc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 497 cox2 6.54 COc1ccccc1-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 498 cox2 8.10 COc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 499 cox2 6.12 COc1ccc(cc1)-c2cc(nn2-c3ccc(Cl)cc3)C(F)(F)F 500 cox2 6.12 COc1ccc(cc1)-c2cc(nn2-c3ccc(OC)cc3)C(F)(F)F 501 cox2 4.00 COc1ccccc1-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 502 cox2 6.24 COc1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 503 cox2 6.46 COc1cccc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 504 cox2 7.89 COc1ccc(cc1C)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 505 cox2 8.30 COc1ccc(cc1C)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 506 cox2 8.03 COc1ccc(cc1C)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 507 cox2 7.57 COc1ccc(cc1Cl)C2=CC3(CC3)C=C2c4ccc(cc4)S(C)(=O)=O 508 cox2 7.77 COc1ccc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(C)(=O)=O 509 cox2 8.70 COc1ccc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(N)(=O)=O 510 cox2 6.60 COc1cc(ccc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 511 cox2 7.70 COc1cc(ccc1Cl)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 512 cox2 6.92 COc1ccc(cc1F)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 513 cox2 7.80 COc1ccc(cc1F)C2=C(CCC2)c3ccc(cc3)S(N)(=O)=O 514 cox2 4.00 COc1ccc(cc1F)-c2ccccc2-c3ccc(cc3)S(C)(=O)=O 515 cox2 7.48 COc1ccc(cc1F)-c2ccccc2-c3ccc(cc3)S(N)(=O)=O 516 cox2 7.89 COc1ccc(cc1F)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 517 cox2 7.30 COc1ccc(cc1F)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 518 cox2 7.03 COc1ccc(cc1F)-c2c(oc3ccccc23)-c4ccc(cc4)S(C)(=O)=O 519 cox2 8.30 COc1ccc(cc1F)-c2c(oc3ccccc23)-c4ccc(cc4)S(N)(=O)=O 520 cox2 6.82 COc1ccc(cc1F)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 521 cox2 7.52 COc1ccc(cc1F)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 522 cox2 7.55 COc1ccc(cc1F)-c2nc(C)sc2-c3ccc(cc3)S(N)(=O)=O 523 cox2 5.61 COc1ccc(cc1F)-c2nc(sc2-c3ccc(cc3)S(N)(=O)=O)-c4ccccc4Cl 524 cox2 4.13 COc1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3)C(F)(F)F 525 cox2 6.47 COc1ccc(cc1OC)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 526 cox2 7.19 COc1ccc(cc1OC)-c2cc(F)c(F)cc2-c3ccc(cc3)S(N)(=O)=O 527 cox2 6.22 COc1ccc(cc1OC)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 528 cox2 4.91 COc1cc(C)c(cc1C)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 529 cox2 6.14 COc1c(C)cc(cc1C)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 530 cox2 7.18 COc1c(C)cc(cc1Cl)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 531 cox2 5.92 COc1ccc(cn1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 532 cox2 6.34 COc1cc(Cl)cc(c1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 533 cox2 6.02 COc1cc(F)cc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 534 cox2 4.00 COc1c(Cl)cc(cc1Cl)-c2cc(F)c(F)cc2-c3ccc(cc3)S(C)(=O)=O 535 cox2 4.42 COc1cncc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 536 cox2 4.00 COc1cncc(c1)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 537 cox2 5.18 COCc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 538 cox2 4.17 COCc1cccc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 539 cox2 5.43 COCc1cn(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c3ccc(Cl)cc3 540 cox2 4.00 COC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c3ccc(cc3)S(N)(=O)=O 541 cox2 6.80 COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c(c1Cl)-c3ccc(Cl)cc3 542 cox2 6.66 CSc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(C)(=O)=O 543 cox2 8.05 CSc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 544 cox2 6.46 CSc1cccc(c1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 545 cox2 6.80 CSc1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 546 cox2 8.43 CSc1ccc(cc1C)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 547 cox2 7.40 CSc1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 548 cox2 8.00 CSc1ccc(cc1Cl)-c2nc(cn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 549 cox2 6.49 CSCc1cn(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c3ccc(Cl)cc3 550 cox2 4.00 CS(=O)c1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 551 cox2 8.00 CS(=O)(=O)c1ccc(cc1)-c2c(Br)csc2-c3ccc(F)cc3 552 cox2 7.59 CS(=O)(=O)c1ccc(cc1)C2=CC3(CC3)C=C2c4ccc(F)cc4 553 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2cc3ccccc3cc2-c4ccc(F)cc4 554 cox2 7.96 CS(=O)(=O)c1ccc(cc1)C2=C(c3ccc(F)cc3)c4ccccc4C2 555 cox2 7.08 CS(=O)(=O)c1ccc(cc1)-c2cc3OCOc3cc2-c4ccc(F)cc4 556 cox2 8.60 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc5OCOc5c4 557 cox2 8.70 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)C(F)(F)F 558 cox2 8.12 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4 559 cox2 7.66 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4F 560 cox2 8.48 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(F)c4 561 cox2 6.87 CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(OC(F)(F)F)cc4 562 cox2 7.68 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc4OCOc4c3 563 cox2 6.06 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C(F)(F)F 564 cox2 4.11 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C#N 565 cox2 6.12 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(c(F)c3)C(F)(F)F 566 cox2 7.28 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)cc3Cl 567 cox2 5.49 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(CO)cc3 568 cox2 7.59 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)cc3 569 cox2 4.00 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(c3)C(F)(F)F 570 cox2 7.29 CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(F)c3 571 cox2 7.17 CS(=O)(=O)c1ccc(cc1)C2=C(CC(C2)(C(F)(F)F)C(F)(F)F)c3ccc(F)cc3 572 cox2 6.59 CS(=O)(=O)c1ccc(cc1)-c2ccccc2-c3ccc(F)cc3 573 cox2 7.29 CS(=O)(=O)c1ccc(cc1)C2=C(CC(CF)(CF)C2)c3ccc(F)cc3 574 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2cccn2-c3cccc(c3)S(C)(=O)=O 575 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2cccn2-c3ccc(c(Cl)c3)S(C)(=O)=O 576 cox2 4.99 CS(=O)(=O)c1ccc(cc1)-c2cccn2-c3ccc(F)cc3 577 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2ccc(n2-c3ccc(F)cc3)C(F)(F)F 578 cox2 6.47 CS(=O)(=O)c1ccc(cc1)-c2cc(F)c(F)cc2-c3ccc4OCCOc4c3 579 cox2 7.92 CS(=O)(=O)c1ccc(cc1)-c2cc(F)c(F)cc2-c3ccc4OCOc4c3 580 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 581 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2c(F)c(F)c(F)c(F)c2-c3ccc(F)cc3 582 cox2 5.24 CS(=O)(=O)c1ccc(cc1)-c2nc(cn2-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F 583 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2nccnc2-c3ccc(F)cc3 584 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2nn(CC=C)cc2-c3ccc(F)cc3 585 cox2 7.12 CS(=O)(=O)c1ccc(cc1)-c2nn(CC=C)c(c2-c3ccc(F)cc3)C(F)(F)F 586 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2n[nH]cc2-c3ccc(F)cc3 587 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2n[nH]c(c2-c3ccc(F)cc3)C(F)(F)F 588 cox2 7.70 CS(=O)(=O)c1ccc(cc1)-c2oc3ccccc3c2-c4ccc(F)cc4 589 cox2 6.46 CS(=O)(=O)c1ccc(cc1)-c2sc(CC#N)nc2-c3ccc(F)cc3 590 cox2 8.00 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccccc3F)-c4ccccc4Cl 591 cox2 7.80 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3cccc(F)c3)-c4ccccc4Cl 592 cox2 7.30 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)-c4ccccc4Cl 593 cox2 6.37 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)-c4cccnc4 594 cox2 7.68 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)-c4cccs4 595 cox2 5.80 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)-c4ccncc4 596 cox2 7.64 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)C(F)(F)F 597 cox2 7.68 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3F)-c4ccccc4Cl 598 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3cc(F)ccc3F)-c4ccccc4Cl 599 cox2 7.24 CS(=O)(=O)c1ccc(cc1)[C@H]2SC(=N[C@@H]2c3cccs3)c4ccccc4Cl 600 cox2 7.10 CS(=O)(=O)c1ccc(cc1)[C@H]2SC(=N[C@@H]2c3ccsc3)c4ccccc4Cl 601 cox2 6.29 CS(=O)(=O)c1ccc(cc1)-n2cccc2-c3ccc(F)cc3 602 cox2 5.81 CS(=O)(=O)c1ccc(cc1)-n2cc(CC#N)nc2-c3ccc(Cl)cc3 603 cox2 6.39 CS(=O)(=O)c1ccc(cc1)-n2cc(CF)nc2-c3ccc(Cl)cc3 604 cox2 5.08 CS(=O)(=O)c1ccc(cc1)-n2cc(CO)nc2-c3ccc(Cl)cc3 605 cox2 5.80 CS(=O)(=O)c1ccc(cc1)-n2cc(C=O)nc2-c3ccc(Cl)cc3 606 cox2 4.03 CS(=O)(=O)c1ccc(cc1)-n2cc(CO)nc2-c3cccnc3 607 cox2 5.92 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cc4ccccc4cn3)C(F)(F)F 608 cox2 7.59 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cc(Br)cs3)C(F)(F)F 609 cox2 6.77 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc4OCOc4c3)C(F)(F)F 610 cox2 6.33 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccc4OCOc34)C(F)(F)F 611 cox2 6.92 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccccc3)C(F)(F)F 612 cox2 6.05 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccccc3Cl)C(F)(F)F 613 cox2 6.24 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccc(c3)[N+]([O-])=O)C(F)(F)F 614 cox2 7.22 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccc(Cl)c3)C(F)(F)F 615 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-n2ccnc2-c3ccc(Cl)cc3 616 cox2 6.62 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)-c4ccccc4 617 cox2 6.21 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)C(F)F 618 cox2 6.96 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)C(F)(F)F 619 cox2 6.64 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)C#N 620 cox2 4.00 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)C(O)=O 621 cox2 5.23 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccc(N)c3)C(F)(F)F 622 cox2 6.92 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(F)c(F)c3)C(F)(F)F 623 cox2 4.68 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccnc3)C(F)F 624 cox2 5.77 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccnc3)C(F)(F)F 625 cox2 4.61 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccnc3)C#N 626 cox2 6.33 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccs3)C(F)(F)F 627 cox2 4.29 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccsc3)C(F)(F)F 628 cox2 6.20 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cnc4ccccc4c3)C(F)(F)F 629 cox2 6.02 CS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cncc(Br)c3)C(F)(F)F 630 cox2 7.00 CS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 631 cox2 4.70 CS(=O)(=O)c1cnn(-c2ccc(cc2)S(N)(=O)=O)c1-c3ccc(Cl)cc3 632 cox2 4.00 CS(=O)(=O)Nc1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 633 cox2 4.00 Fc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)C(=O)C(F)(F)F)C(F)(F)F 634 cox2 4.00 FC(F)(F)c1cc(-c2ccccc2)n(n1)-c3ccccc3 635 cox2 5.32 FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(n1)-c3ccc(Cl)cc3 636 cox2 6.47 Nc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F 637 cox2 4.53 Nc1cnn(-c2ccc(cc2)S(N)(=O)=O)c1-c3ccccc3 638 cox2 4.00 NC(=O)c1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)F 639 cox2 5.96 NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c(c1Cl)-c3ccc(Cl)cc3 640 cox2 4.00 NOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c3ccc(cc3)S(N)(=O)=O 641 cox2 8.30 NS(=O)(=O)c1ccc(cc1)C2=C(c3ccc(F)cc3)c4ccccc4C2 642 cox2 9.00 NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)C(F)(F)F 643 cox2 8.52 NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4 644 cox2 8.52 NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(F)c4 645 cox2 6.89 NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(OC(F)(F)F)cc4 646 cox2 8.70 NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc4OCOc4c3 647 cox2 6.82 NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C(F)(F)F 648 cox2 6.77 NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(c(F)c3)C(F)(F)F 649 cox2 8.15 NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)cc3 650 cox2 7.74 NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(F)c3 651 cox2 7.21 NS(=O)(=O)c1ccc(cc1)-c2ccccc2-c3ccc(F)cc3 652 cox2 7.77 NS(=O)(=O)c1ccc(cc1)-c2ccccc2-c3ccc(F)c(Cl)c3 653 cox2 7.49 NS(=O)(=O)c1ccc(cc1)-c2cc(F)c(F)cc2-c3ccc4OCCOc4c3 654 cox2 8.40 NS(=O)(=O)c1ccc(cc1)-c2cc(F)c(F)cc2-c3ccc4OCOc4c3 655 cox2 8.00 NS(=O)(=O)c1ccc(cc1)-c2cc(nn2-c3ccc(F)cc3)C(F)(F)F 656 cox2 6.74 NS(=O)(=O)c1ccc(cc1)-c2c(CO)onc2-c3ccccc3 657 cox2 8.15 NS(=O)(=O)c1ccc(cc1)-c2oc3ccccc3c2-c4ccc(F)cc4 658 cox2 7.89 NS(=O)(=O)c1ccc(cc1)-c2sc(nc2-c3ccc(F)cc3)-c4ccccc4Cl 659 cox2 7.85 NS(=O)(=O)c1ccc(cc1)-n2cccc2-c3ccc(F)cc3 660 cox2 7.40 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccccc3)C(F)(F)F 661 cox2 7.00 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccccc3F)C(F)(F)F 662 cox2 8.00 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(Cl)cc3)C(F)(F)F 663 cox2 7.52 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3ccc(F)c(F)c3)C(F)(F)F 664 cox2 5.74 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccnc3)C(F)F 665 cox2 6.36 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccnc3)C(F)(F)F 666 cox2 7.15 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cccs3)C(F)(F)F 667 cox2 6.47 NS(=O)(=O)c1ccc(cc1)-n2cc(nc2-c3cncc(Br)c3)C(F)(F)F 668 cox2 7.51 NS(=O)(=O)c1ccc(cc1)-n2ncc(Br)c2-c3ccc(Cl)cc3 669 cox2 6.05 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3cc4ccccc4o3)C(F)(F)F 670 cox2 7.51 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc4CCCc4c3)C(F)(F)F 671 cox2 7.68 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc4OCCc4c3)C(F)(F)F 672 cox2 7.62 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc4OCOc4c3)C(F)F 673 cox2 6.64 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc4SCCCc4c3)C(F)(F)F 674 cox2 7.92 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Br)s3)C(F)(F)F 675 cox2 6.89 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccccc3)C(F)F 676 cox2 7.08 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2C3=CCCCC3)C(F)(F)F 677 cox2 4.53 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(cc3)C#N)C(F)F 678 cox2 4.33 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(cc3)C(O)=O)C(F)F 679 cox2 4.95 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(cc3)C([O-])=O)C(F)(F)F 680 cox2 7.24 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccccc3F)C(F)(F)F 681 cox2 6.54 NS(=O)(=O)c1ccc(cc1)-n2ncc(c2-c3ccccc3)[N+]([O-])=O 682 cox2 5.58 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(cc3)[N+]([O-])=O)C(F)(F)F 683 cox2 5.11 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3cccc(F)c3)C(F)(F)F 684 cox2 7.28 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3)-c4ccc(Cl)s4 685 cox2 8.00 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3)C(F)F 686 cox2 7.25 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3Cl)C(F)(F)F 687 cox2 7.82 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Cl)c(Cl)c3)C(F)(F)F 688 cox2 4.34 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccccn3)C(F)(F)F 689 cox2 4.03 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(CO)cc3)C(F)(F)F 690 cox2 4.00 NS(=O)(=O)c1ccc(cc1)-n2nccc2-c3ccc(F)cc3 691 cox2 7.39 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 692 cox2 6.47 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C#N 693 cox2 4.00 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(O)=O 694 cox2 4.00 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3cc(Cl)ccc3Cl)C(F)(F)F 695 cox2 4.35 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3cccnc3)C(F)(F)F 696 cox2 4.00 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(O)cc3)C(F)(F)F 697 cox2 4.19 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccncc3)C(F)(F)F 698 cox2 6.46 NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3csc4ccccc34)C(F)(F)F 699 cox2 6.92 NS(=O)(=O)c1ccc(cc1)-n2nc(CC#N)cc2-c3ccc(Cl)cc3 700 cox2 8.77 NS(=O)(=O)c1ccc(cc1)-n2nc(c(F)c2-c3ccccc3)C(F)(F)F 701 cox2 6.70 NS(=O)(=O)c1ccc(cc1)-n2nc(CF)cc2-c3ccccc3 702 cox2 8.00 NS(=O)(=O)c1ccc(cc1)-n2nc(C#N)c(Cl)c2-c3ccc(Cl)cc3 703 cox2 5.45 NS(=O)(=O)c1ccc(cc1)-n2nc(c(O)c2-c3ccccc3)C(F)(F)F 704 cox2 6.08 NS(=O)(=O)c1ccc(cc1)-n2nc(CO)cc2-c3ccc(Cl)cc3 705 cox2 6.47 NS(=O)(=O)c1ccc(cc1)-n2nc(CO)c(Cl)c2-c3ccc(Cl)cc3 706 cox2 4.15 NS(=O)(=O)c1ccc(cc1)-n2nc(C(O)=O)c(Cl)c2-c3ccc(Cl)cc3 707 cox2 4.00 [O-][N+](=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F 708 dhfr 7.44 Cc1cc2CCc3nc(N)nc(N)c3-c2cc1C 709 dhfr 5.10 Cc1cc2nc(N)nc(N)c2cc1C 710 dhfr 7.22 Cc1ccc2c(ccc3nc(N)nc(N)c23)c1 711 dhfr 4.85 Cc1c(Cc2ccccc2)sc3nc(N)nc(N)c13 712 dhfr 4.38 Cc1ccc2c(N)nc(N)nc2c1 713 dhfr 4.26 Cc1ccc2nc(N)nc(N)c2c1 714 dhfr 6.87 Cc1c(CCc2cccc3ccccc23)cnc4nc(N)nc(N)c14 715 dhfr 5.13 Cc1cccc2nc(N)nc(N)c12 716 dhfr 6.96 Cc1ccccc1C[C@@H]2CCc3nc(N)nc(N)c3C2 717 dhfr 6.77 Cc1c(C)c(c(C)c(C)c1NCc2cnc3nc(N)nc(N)c3c2C)-n4cccc4 718 dhfr 6.96 Cc1cccc(C[C@@H]2CCc3nc(N)nc(N)c3C2)c1 719 dhfr 6.92 Cc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 720 dhfr 6.48 Cc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1 721 dhfr 5.07 Cc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1 722 dhfr 7.64 Cc1cc(Cl)ccc1NCc2ccc3nc(N)nc(N)c3c2 723 dhfr 6.30 Cc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1 724 dhfr 4.59 Cc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1 725 dhfr 3.95 CC1(C)[C@H]2C[C@@H]1c3nc(N)nc(N)c3C2 726 dhfr 7.46 Cc1c(CNc2ccc(Br)cc2)cnc3nc(N)nc(N)c13 727 dhfr 7.06 Cc1c(CNc2ccccc2Cl)cnc3nc(N)nc(N)c13 728 dhfr 6.77 Cc1c(CNc2ccccc2)cnc3nc(N)nc(N)c13 729 dhfr 9.58 Cc1c(CNc2ccc(cc2)C(=O)NC(CC(O)=O)CC(O)=O)ccc3nc(N)nc(N)c13 730 dhfr 9.81 Cc1c(CNc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc3nc(N)nc(N)c13 731 dhfr 7.43 Cc1c(CNc2cccc(Cl)c2)cnc3nc(N)nc(N)c13 732 dhfr 7.82 Cc1c(CNc2ccc(Cl)c(c2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc3nc(N)nc(N)c13 733 dhfr 7.28 Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc3nc(N)nc(N)c13 734 dhfr 7.48 Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc3nc(N)nc(N)c13 735 dhfr 6.85 Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc3nc(N)nc(N)c13 736 dhfr 6.60 Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc3nc(N)nc(N)c13 737 dhfr 5.07 Cc1c(CO)cnc2nc(N)nc(N)c12 738 dhfr 6.64 Cc1c(COC(=O)c2ccccc2)cnc3nc(N)nc(N)c13 739 dhfr 6.26 Cc1c(CSc2cccc3ccccc23)cnc4nc(N)nc(N)c14 740 dhfr 6.37 Cc1c(CSc2ccccc2)cnc3nc(N)nc(N)c13 741 dhfr 6.72 Cc1c(CSc2cccc(Cl)c2)cnc3nc(N)nc(N)c13 742 dhfr 6.43 Cc1c(CSc2ccc(Cl)cc2)cnc3nc(N)nc(N)c13 743 dhfr 5.04 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc3cc(Cl)ccc3c2 744 dhfr 5.92 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc3c(Cl)cc(Cl)cc3c2 745 dhfr 5.51 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc3c(Cl)c(Cl)ccc3c2 746 dhfr 6.80 CC1(C)N=C(N)NC(N)=[N@H]1c2cccc3ccccc23 747 dhfr 6.24 CC1(C)N=C(N)NC(N)=[N@H]1c2cc(cc(c2)C(F)(F)F)C(F)(F)F 748 dhfr 7.17 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(cc2)[C@H](CCCc3ccccc3)C#N 749 dhfr 6.66 CC1(C)N=C(N)NC(N)=[N@H]1c2cccc(c2)C#N 750 dhfr 7.54 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(CCc3ccccc3)cc2 751 dhfr 7.39 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(CCc3ccccc3)c2 752 dhfr 7.70 CC1(C)N=C(N)NC(N)=[N@@H]1c2ccc(CCCCc3ccccc3)cc2 753 dhfr 7.37 CC1(C)N=C(N)NC(N)=[N@@H]1c2ccc(CCCCc3ccc(Cl)cc3Cl)cc2 754 dhfr 7.74 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(CCCCc3ccc(Cl)cc3Cl)c2 755 dhfr 8.27 CC1(C)N=C(N)NC(N)=[N@H]1c2cccc(CCCCOc3ccccc3)c2 756 dhfr 6.55 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(CC(=O)Nc3ccccc3)c2 757 dhfr 8.51 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(CCC(=O)Nc3ccc(cc3)S(F)(=O)=O)cc2 758 dhfr 7.54 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(Cl)c(Cl)c2 759 dhfr 6.60 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(OCc3cccc(N)c3)c2 760 dhfr 6.80 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(OCCCOc3ccc(N)cc3)c2 761 dhfr 7.39 CC1(C)N=C(N)NC(N)=[N@@H]1c2cccc(OCCOc3ccc(N)cc3)c2 762 dhfr 4.59 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(N)cc2 763 dhfr 7.57 CC1(C)N=C(N)NC(N)=[N@@H]1c2ccc(OCCNS(=O)(=O)c3cccc(c3)S(F)(=O)=O)c(Cl)c2 764 dhfr 8.42 CC1(C)N=C(N)NC(N)=[N@H]1c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2 765 dhfr 7.13 CC1(C)N=C(N)NC(N)=[N@@H]1c2ccc(OCC(=O)Nc3cccc(c3)S(F)(=O)=O)cc2 766 dhfr 4.24 Cc1c(sc2nc(N)nc(N)c12)-c3ccccc3 767 dhfr 5.34 Cc1c(sc2nc(N)nc(N)c12)-c3ccc(Cl)c(Cl)c3 768 dhfr 7.21 Cc1nc2nc(N)nc(N)c2c3CCCCc13 769 dhfr 6.49 Cc1nc(N)nc(N)c1-c2ccc(Cl)c(Cl)c2 770 dhfr 4.59 Cc1[nH]c2NC(N)=NC(=O)c2c1CNc3cccc(Cl)c3 771 dhfr 4.82 Cc1[nH]c2NC(N)=NC(=O)c2c1CNc3ccc(Cl)cc3Cl 772 dhfr 4.60 Cc1[nH]c2NC(N)=NC(=O)c2c1CNc3cc(Cl)ccc3Cl 773 dhfr 4.20 Cc1[nH]c2NC(N)=NC(=O)c2c1CNc3cc(Cl)cc(Cl)c3 774 dhfr 2.13 Cc1[nH]c2NC(N)=NC(=O)c2c1Sc3ccc(cc3)[N+]([O-])=O 775 dhfr 4.61 Cc1[nH]c2NC(N)=NC(=O)c2c1Sc3ccc(Cl)cc3 776 dhfr 4.00 Cc1sc2nc(N)nc(N)c2c1-c3ccc(Cl)cc3 777 dhfr 8.44 CCc1c(CNc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc3nc(N)nc(N)c13 778 dhfr 6.74 CCc1nc2nc(N)nc(N)c2c3CCCCc13 779 dhfr 6.39 CCc1nc2nc(N)nc(N)c2nc1-c3ccccc3OC 780 dhfr 5.66 CCc1nc2nc(N)nc(N)c2nc1CC 781 dhfr 6.03 CCc1nc(N)nc(N)c1-c2ccc(cc2)N3CCCCC3 782 dhfr 8.49 CCc1nc(N)nc(N)c1-c2ccc(c(c2)N(C)Cc3ccccc3)[N+]([O-])=O 783 dhfr 7.60 CCc1nc(N)nc(N)c1-c2ccc(c(Cc3ccccc3)c2)[N+]([O-])=O 784 dhfr 5.64 CCc1nc(N)nc(N)c1-c2ccc(Cl)cc2 785 dhfr 5.86 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)-n3cc(Cc4ccccc4)nn3 786 dhfr 6.42 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)-n3ccnn3 787 dhfr 6.82 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)-n3cc(nn3)-c4ccccc4 788 dhfr 5.48 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)[N+]3=NN(CC3)Cc4ccccc4 789 dhfr 7.05 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)N(C)Cc3cc(OC)c(OC)c(OC)c3 790 dhfr 5.46 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=C\N(C)C 791 dhfr 7.49 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)[N+]#N 792 dhfr 5.77 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N3CCc4ccccc4C3 793 dhfr 4.18 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N3CCCCC3 794 dhfr 5.14 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N3CCC(O)CC3 795 dhfr 4.79 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N3CCN(C)CC3 796 dhfr 4.58 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N3CCOCC3 797 dhfr 6.48 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)N=[N+]=[N-] 798 dhfr 5.64 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\NC 799 dhfr 4.72 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(C)C 800 dhfr 5.74 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(C)Cc3ccccc3 801 dhfr 6.30 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(C)CC3OCCO3 802 dhfr 4.55 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(C)CCO 803 dhfr 5.13 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCCO)Cc3ccccc3 804 dhfr 5.15 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCO)Cc3ccccc3 805 dhfr 5.33 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCO)CCc3ccccc3 806 dhfr 4.99 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCO)C(C)(C)C 807 dhfr 4.58 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC)CCOC 808 dhfr 5.30 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCO)CCO 809 dhfr 6.21 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc4ccccc4c3 810 dhfr 6.55 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cccc4ccccc34 811 dhfr 4.71 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccccc3 812 dhfr 4.95 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccccc3C 813 dhfr 5.18 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(cc3)C(F)(F)F 814 dhfr 5.08 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccccc3Cl 815 dhfr 4.83 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccccc3F 816 dhfr 5.48 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(cc3)[N+]([O-])=O 817 dhfr 5.79 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cccc(c3)[N+]([O-])=O 818 dhfr 5.24 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cccc(C)c3 819 dhfr 5.41 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(C)cc3 820 dhfr 5.89 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cccc(Cl)c3 821 dhfr 5.41 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cccc(F)c3 822 dhfr 5.74 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(Cl)cc3 823 dhfr 5.42 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(F)cc3 824 dhfr 5.68 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(OC)cc3 825 dhfr 6.41 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccc(OC)c(OC)c3 826 dhfr 5.21 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3ccncc3 827 dhfr 6.07 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cc(OC)cc(OC)c3 828 dhfr 6.35 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(C)=O)Cc3cc(OC)c(OC)c(OC)c3 829 dhfr 5.19 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCO)[C@H](C)c3ccccc3 830 dhfr 6.16 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(=O)c3ccccc3)Cc4ccccc4 831 dhfr 5.43 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)\N=N\N(CCOC(=O)C(C)C)Cc3ccccc3 832 dhfr 7.82 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(c2)[N+]([O-])=O 833 dhfr 6.72 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(Cl)c2 834 dhfr 6.20 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(NCc3ccccc3)c2 835 dhfr 5.39 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(NC(=O)c3ccccc3)c2 836 dhfr 6.00 CCc1nc(N)nc(N)c1-c2ccc(Cl)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2 837 dhfr 6.05 CCc1nc(N)nc(N)c1-c2ccc(N3CCCCC3)c(c2)[N+]([O-])=O 838 dhfr 7.66 CCc1nc(N)nc(N)c1-c2ccc(N)c(c2)N(C)Cc3ccccc3 839 dhfr 7.80 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C4OCCO4)c(c2)[N+]([O-])=O 840 dhfr 7.60 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccccc3)c(c2)[N+]([O-])=O 841 dhfr 8.12 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C(N)=O)c(c2)[N+]([O-])=O 842 dhfr 6.57 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C(=O)N4CCCCC4)c(c2)[N+]([O-])=O 843 dhfr 8.22 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C(=O)NC)c(c2)[N+]([O-])=O 844 dhfr 8.05 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C(=O)N(C)C)c(c2)[N+]([O-])=O 845 dhfr 8.54 CCc1nc(N)nc(N)c1-c2ccc(NCc3ccc(cc3)C(O)=O)c(c2)[N+]([O-])=O 846 dhfr 7.82 CCc1nc(N)nc(N)c1-c2ccc(N(C)Cc3ccc(cc3)C4=NC(C)(C)CO4)c(c2)[N+]([O-])=O 847 dhfr 8.49 CCc1nc(N)nc(N)c1-c2ccc(N(C)Cc3ccccc3)c(c2)[N+]([O-])=O 848 dhfr 8.17 CCc1nc(N)nc(N)c1-c2ccc(N(C)Cc3ccc(cc3)C(=O)NC)c(c2)[N+]([O-])=O 849 dhfr 8.42 CCc1nc(N)nc(N)c1-c2ccc(N(C)Cc3ccc(cc3)C(O)=O)c(c2)[N+]([O-])=O 850 dhfr 6.55 CCc1nc(NS(C)(=O)=O)nc(NS(C)(=O)=O)c1-c2ccc(Cl)cc2 851 dhfr 5.96 CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C 852 dhfr 4.36 CCCCc1ccc(Cc2nc3nc(N)nc(N)c3nc2Cc4ccc(CCCC)cc4)cc1 853 dhfr 6.49 CC(C)Cc1nc2nc(N)nc(N)c2nc1CC(C)C 854 dhfr 4.00 CC\C=C\CC1=C(C)Cc2c(N)nc(N)nc12 855 dhfr 6.21 CCCCCc1nc2nc(N)nc(N)c2nc1CCCCC 856 dhfr 4.07 CCCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 857 dhfr 4.52 CCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 858 dhfr 4.96 CCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 859 dhfr 4.54 CCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 860 dhfr 7.19 CC(C)(C)[C@H]1CCc2nc(N)nc(N)c2C1 861 dhfr 4.36 CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 862 dhfr 5.52 CC[C@@H]1CCc2nc(N)nc(N)c2C1 863 dhfr 6.36 CCCN(CCO)\N=N\c1cc(ccc1Cl)-c2c(N)nc(N)nc2CC 864 dhfr 6.32 CCCNC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 865 dhfr 6.92 CCCOc1cccc2nc(N)nc(N)c12 866 dhfr 5.48 CCC(=O)OCCN(Cc1ccccc1)\N=N\c2cc(ccc2Cl)-c3c(N)nc(N)nc3CC 867 dhfr 4.61 CCn1c2ccccc2c3cc(ccc13)N(C)Cc4coc5nc(N)nc(N)c45 868 dhfr 4.90 CCn1c2ccccc2c3cc(NCc4coc5nc(N)nc(N)c45)ccc13 869 dhfr 7.10 CCN(Cc1ccccc1)c2cc(ccc2[N+]([O-])=O)-c3c(N)nc(N)nc3CC 870 dhfr 6.92 CCN(Cc1cnc2nc(N)nc(N)c2c1)c3cc(OC)c(OC)c(OC)c3 871 dhfr 7.98 CCN(Cc1cnc2nc(N)nc(N)c2c1C)c3cc(OC)c(OC)c(OC)c3 872 dhfr 8.85 CCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O 873 dhfr 4.76 CCN(CC)CCN(C)\N=N\c1cc(ccc1Cl)-c2c(N)nc(N)nc2CC 874 dhfr 7.15 CCN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c3cc(OC)ccc3OC 875 dhfr 4.75 CCN(CC)\N=N\c1cc(ccc1Cl)-c2c(N)nc(N)nc2CC 876 dhfr 4.57 CCN(CCO)\N=N\c1cc(ccc1Cl)-c2c(N)nc(N)nc2CC 877 dhfr 3.69 CCN(C)\N=N\c1cc(ccc1Cl)-c2c(N)nc(N)nc2CC 878 dhfr 4.96 CCOc1cccc2nc(N)nc(N)c12 879 dhfr 7.82 CC(=O)c1ccc(cc1)N(Cc2ccc3nc(N)nc(N)c3n2)C#C 880 dhfr 8.60 CC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1 881 dhfr 7.12 CC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 882 dhfr 6.94 CCOc1ccc(OCC)c(c1)N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2 883 dhfr 4.15 CCOc1ccc(OCC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 884 dhfr 5.83 CCOc1ccc(OCC)c(NC[C@@H]2CCc3nc(N)nc(N)c3C2)c1 885 dhfr 7.03 CCOCc1nc(N)nc(N)c1-c2ccc(Cl)c(Cl)c2 886 dhfr 6.77 CC(=O)Nc1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 887 dhfr 8.00 CN(c1ccc2ccccc2c1)c3ccc4nc(N)nc(N)c4n3 888 dhfr 5.48 CN(c1ccc2nc(N)nc(N)c2n1)c3cccc4ccccc34 889 dhfr 8.89 CN(c1ccccc1)c2ccc3nc(N)nc(N)c3n2 890 dhfr 7.16 CN(Cc1ccc2nc(N)nc(N)c2c1)c3ccccc3 891 dhfr 8.14 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc4ccccc4c3 892 dhfr 8.14 CN(Cc1ccc2nc(N)nc(N)c2n1)c3cccc4ccccc34 893 dhfr 7.62 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccccc3 894 dhfr 8.29 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc(cc3)C(C)=O 895 dhfr 6.92 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccccc3Cl 896 dhfr 7.49 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)C(F)(F)F 897 dhfr 7.17 CN(Cc1ccc2nc(N)nc(N)c2n1)c3cccc(Cl)c3 898 dhfr 7.66 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc(Cl)cc3 899 dhfr 7.24 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc(Cl)cc3Cl 900 dhfr 7.33 CN(Cc1ccc2nc(N)nc(N)c2n1)c3cc(Cl)ccc3Cl 901 dhfr 7.06 CN(Cc1ccc2nc(N)nc(N)c2n1)c3cc(Cl)c(Cl)c(Cl)c3 902 dhfr 7.32 CN(Cc1ccc2nc(N)nc(N)c2n1)c3c(Cl)cccc3Cl 903 dhfr 7.28 CN(Cc1ccc2nc(N)nc(N)c2n1)c3c(Cl)cc(Cl)cc3Cl 904 dhfr 7.77 CN(Cc1cccc2ccccc12)c3ccc4nc(N)nc(N)c4c3 905 dhfr 6.85 CN(Cc1ccccc1)c2cnc3nc(N)nc(N)c3c2 906 dhfr 7.44 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3ccc(Br)cc3 907 dhfr 6.85 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3cccc4ccccc34 908 dhfr 7.00 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3ccccc3Cl 909 dhfr 7.59 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3ccc(Cl)cc3 910 dhfr 7.38 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3ccc(Cl)c(Cl)c3 911 dhfr 7.44 CN(Cc1cnc2nc(N)nc(N)c2c1C)c3cc(Cl)c(Cl)c(Cl)c3 912 dhfr 6.08 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccccc3 913 dhfr 9.26 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3Br)C(=O)N[C@@H](CCC(O)=O)C(O)=O 914 dhfr 8.81 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3C(F)(F)F)C(=O)N[C@H](CCC(O)=O)C(O)=O 915 dhfr 8.21 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O 916 dhfr 8.60 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O 917 dhfr 6.96 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(O)=O 918 dhfr 9.44 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3F)C(=O)N[C@H](CCC(O)=O)C(O)=O 919 dhfr 8.78 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3I)C(=O)N[C@H](CCC(O)=O)C(O)=O 920 dhfr 7.42 CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(C)cc(cc3C)C(O)=O 921 dhfr 8.60 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c4ccccc34 922 dhfr 8.84 CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Br)C(=O)N[C@@H](CCC(O)=O)C(O)=O 923 dhfr 9.48 CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)N[C@@H](CCC(O)=O)C(O)=O 924 dhfr 8.32 CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(F)cc(cc3F)C(=O)N[C@H](CCC(O)=O)C(O)=O 925 dhfr 5.09 CN(Cc1c[nH]c2nc(N)nc(N)c12)c3cccc4ccccc34 926 dhfr 7.22 CN(Cc1c[nH]c2nc(N)nc(N)c12)c3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O 927 dhfr 5.52 CN(Cc1c[nH]c2nc(N)nc(N)c12)c3ccc(Cl)c(Cl)c3 928 dhfr 4.84 CN(Cc1coc2nc(N)nc(N)c12)c3ccc4ccccc4c3 929 dhfr 6.37 CN(Cc1coc2nc(N)nc(N)c12)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O 930 dhfr 4.46 CN(Cc1coc2nc(N)nc(N)c12)c3cc(Cl)c(Cl)c(Cl)c3 931 dhfr 5.85 CN(CCc1ccccc1)c2cnc3nc(N)nc(N)c3c2 932 dhfr 7.33 CN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c3cccc4ccccc34 933 dhfr 7.17 CN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c3ccc(Cl)cc3 934 dhfr 7.47 CN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c3ccc(Cl)c(Cl)c3 935 dhfr 3.62 COc1cc2c(cc1N(C)Cc3coc4nc(N)nc(N)c34)oc5ccccc25 936 dhfr 6.64 COc1cc2CCN(Cc3cnc4nc(N)nc(N)c4c3C)c2cc1OC 937 dhfr 6.89 COc1cc2CCN(Cc3cnc4nc(N)nc(N)c4c3C)Cc2cc1OC 938 dhfr 5.49 COc1ccc2CCc3cc4c(N)nc(N)nc4nc3-c2c1 939 dhfr 7.04 COc1ccc2ccc3nc4nc(N)nc(N)c4cc3c2c1 940 dhfr 7.64 COc1ccc2CCc3nc4nc(N)nc(N)c4cc3-c2c1 941 dhfr 6.62 COc1ccc-2c(CCc3cc4c(N)nc(N)nc4nc-23)c1 942 dhfr 5.80 COc1ccc-2c(CCc3nc4nc(N)nc(N)c4cc-23)c1 943 dhfr 5.90 COc1ccc-2c(CCc3nc(N)nc(N)c-23)c1 944 dhfr 6.43 COc1ccc2ccccc2c1CNc3cnc4nc(N)nc(N)c4c3 945 dhfr 6.77 COc1ccc2CC[C@@H](Cc3cnc4nc(N)nc(N)c4c3C)c2c1 946 dhfr 6.64 COc1ccc2CC[C@@H](Cc3cnc4nc(N)nc(N)c4c3C)c2c1OC 947 dhfr 6.33 COc1ccc2[C@H](Cc3cnc4nc(N)nc(N)c4c3C)C=Cc2c1 948 dhfr 6.82 COc1ccc2[C@@H](CCc2c1)Cc3cnc4nc(N)nc(N)c4c3C 949 dhfr 4.60 COc1cc(-c2nc3c(N)nc(N)nc3[nH]2)c(cc1OC)[N+]([O-])=O 950 dhfr 6.77 COc1ccc2N(CCc2c1)Cc3cnc4nc(N)nc(N)c4c3C 951 dhfr 4.34 COc1ccc2nc(N)nc(N)c2c1 952 dhfr 6.22 COc1cccc-2c1CCc3cc4c(N)nc(N)nc4nc-23 953 dhfr 8.82 COc1cc(Cc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1 954 dhfr 3.89 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 955 dhfr 4.89 COc1ccc(-c2nc3c(N)nc(N)nc3[nH]2)c4ccccc14 956 dhfr 6.82 COc1cccc2N(CCc12)Cc3cnc4nc(N)nc(N)c4c3C 957 dhfr 5.92 COc1cccc2nc(N)nc(N)c12 958 dhfr 6.03 COc1cc(Cc2sc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC 959 dhfr 4.29 COc1cc(Cc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC 960 dhfr 4.93 COc1ccc(cc1)\C=C\c2cnc3nc(N)nc(N)c3c2 961 dhfr 6.92 COc1ccccc1C[C@@H]2CCc3nc(N)nc(N)c3C2 962 dhfr 6.59 COc1ccccc1Nc2ccc3nc(N)nc(N)c3n2 963 dhfr 6.38 COc1ccccc1NCc2ccc3nc(N)nc(N)c3n2 964 dhfr 8.17 COc1ccc(cc1)N(C)c2ccc3nc(N)nc(N)c3n2 965 dhfr 6.77 COc1ccccc1NCc2cnc3nc(N)nc(N)c3c2C 966 dhfr 6.36 COc1ccc(cc1NCc2cnc3nc(N)nc(N)c3c2C)-c4ccccc4 967 dhfr 7.70 COc1ccc(cc1NCc2cnc3nc(N)nc(N)c3c2C)C(F)(F)F 968 dhfr 4.68 COc1ccc(cc1NCc2cnc3nc(N)nc(N)c3n2)C(F)(F)F 969 dhfr 6.92 COc1ccccc1N(C)Cc2ccc3nc(N)nc(N)c3n2 970 dhfr 7.46 COc1cccc(c1)N(C)Cc2ccc3nc(N)nc(N)c3n2 971 dhfr 7.74 COc1ccc(cc1)N(C)Cc2ccc3nc(N)nc(N)c3n2 972 dhfr 7.74 COc1cccc(c1)N(C)Cc2cnc3nc(N)nc(N)c3c2C 973 dhfr 7.89 COc1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3c2C 974 dhfr 6.64 COc1ccc(cc1N(C)Cc2cnc3nc(N)nc(N)c3c2C)C(F)(F)F 975 dhfr 8.96 COc1cc(ccc1N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)N[C@H](CCC(O)=O)C(O)=O 976 dhfr 4.28 COc1ccc(cc1OC)-c2nc3c(N)nc(N)nc3[nH]2 977 dhfr 6.96 COc1ccc(cc1OC)C(=O)OCc2ccc3nc(N)nc(N)c3c2 978 dhfr 9.40 COc1ccc(cc1OC)N(C)c2ccc3nc(N)nc(N)c3n2 979 dhfr 8.57 COc1ccc(cc1OC)N(C)Cc2ccc3nc(N)nc(N)c3n2 980 dhfr 8.36 COc1ccc(cc1OC)N(C)Cc2cnc3nc(N)nc(N)c3c2C 981 dhfr 6.06 COc1ccc(cc1OC)S(=O)(=O)c2ccc3nc(N)nc(N)c3n2 982 dhfr 6.64 COc1ccccc1Sc2ccc3nc(N)nc(N)c3n2 983 dhfr 5.70 COc1ccc(cc1)S(=O)(=O)c2ccc3nc(N)nc(N)c3n2 984 dhfr 5.85 COc1ccccc1S(=O)(=O)c2ccc3nc(N)nc(N)c3n2 985 dhfr 5.43 COc1cc(CCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC 986 dhfr 4.89 COc1cc(\C=C\c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 987 dhfr 5.94 COc1cc(CCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 988 dhfr 5.55 COc1cc(CCc2csc3nc(N)nc(N)c23)c(Br)c(OC)c1OC 989 dhfr 4.60 COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC 990 dhfr 6.49 COc1cccc(C)c1NCc2cnc3nc(N)nc(N)c3c2C 991 dhfr 6.80 COc1ccc(C)cc1NCc2cnc3nc(N)nc(N)c3c2C 992 dhfr 5.24 COc1cccc(C)c1NCc2cnc3nc(N)nc(N)c3n2 993 dhfr 6.59 COc1ccc(CCc2cnc3nc(N)nc(N)c3c2)cc1 994 dhfr 5.68 COc1ccc(\C=C\c2cnc3nc(N)nc(N)c3c2)cc1OC 995 dhfr 6.21 COc1ccc(CCc2cnc3nc(N)nc(N)c3c2)cc1OC 996 dhfr 6.66 COc1cc(CCC[C@H]2CCc3nc(N)nc(N)c23)cc(OC)c1OC 997 dhfr 6.96 COc1cccc(C[C@@H]2CCc3nc(N)nc(N)c3C2)c1 998 dhfr 5.68 COc1ccc(CC[C@@H]2CNc3nc(N)nc(N)c3C2)cc1OC 999 dhfr 6.29 COc1cc(CC[C@H]2CCc3nc(N)nc(N)c23)cc(OC)c1OC 1000 dhfr 7.11 COc1ccc(C[C@@H]2CCc3nc(N)nc(N)c3C2)cc1 1001 dhfr 7.20 COc1ccc(C[C@@H]2CCc3nc(N)nc(N)c3C2)cc1OC 1002 dhfr 5.21 COc1cc(CC[C@@H]2CNc3nc(N)nc(N)c3C2)cc(OC)c1OC 1003 dhfr 6.03 COc1cc(CCCN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1004 dhfr 4.72 COc1cc(CCCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 1005 dhfr 6.82 COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 1006 dhfr 4.16 COc1cc(C[C@H]2CCc3nc(N)nc(N)c23)cc(OC)c1OC 1007 dhfr 7.42 COc1cc(C[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1008 dhfr 5.02 COc1cc(CCN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1009 dhfr 5.27 COc1cc(CCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 1010 dhfr 5.92 COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1 1011 dhfr 5.89 COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1OC 1012 dhfr 6.37 COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)c4ccccc14 1013 dhfr 5.82 COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC 1014 dhfr 5.49 COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)c(OC)c1OC 1015 dhfr 7.37 COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1 1016 dhfr 7.72 COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC 1017 dhfr 6.70 COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1 1018 dhfr 7.10 COc1cccc(NCc2cnc3nc(N)nc(N)c3c2C)c1 1019 dhfr 7.52 COc1ccc(CN(C)c2cnc3nc(N)nc(N)c3c2)c(OC)c1OC 1020 dhfr 6.05 COc1ccc(c(OC)c1)-c2nc3c(N)nc(N)nc3[nH]2 1021 dhfr 4.82 COc1cc(cc(OC)c1O)-c2nc3c(N)nc(N)nc3[nH]2 1022 dhfr 4.57 COc1cc(cc(OC)c1OC)-c2c[nH]c3nc(N)nc(N)c23 1023 dhfr 4.89 COc1cc(cc(OC)c1OC)-c2nc3c(N)nc(N)nc3[nH]2 1024 dhfr 5.43 COc1ccc(c(OC)c1OC)-c2nc3c(N)nc(N)nc3[nH]2 1025 dhfr 5.74 COc1cc(cc(OC)c1OC)-c2sc3nc(N)nc(N)c3c2C 1026 dhfr 5.90 COc1cc(cc(OC)c1OC)[C@H](C)Nc2cnc3nc(N)nc(N)c3c2 1027 dhfr 7.59 COc1cc(cc(OC)c1OC)C(=O)OCc2ccc3nc(N)nc(N)c3c2 1028 dhfr 6.33 COc1cc(cc(OC)c1OC)N2Cc3cnc4nc(N)nc(N)c4c3C=C2 1029 dhfr 6.62 COc1cc(cc(OC)c1OC)N2CCC3=C4C(N)=NC(N)=NC4=NC(=O)C3=C2 1030 dhfr 6.80 COc1cc(cc(OC)c1OC)N2CC[C@@H]3[C@H](CNc4nc(N)nc(N)c34)C2 1031 dhfr 8.43 COc1cc(cc(OC)c1OC)N(C)c2ccc3nc(N)nc(N)c3n2 1032 dhfr 7.76 COc1cc(cc(OC)c1OC)N(Cc2cnc3nc(N)nc(N)c3c2C)C(C)C 1033 dhfr 6.96 COc1cc(cc(OC)c1OC)N(Cc2cnc3nc(N)nc(N)c3c2C)C=O 1034 dhfr 5.13 COc1cc(cc(OC)c1OC)N(Cc2cnc3nc(N)nc(N)c3c2)C=O 1035 dhfr 4.55 COc1cc(cc(OC)c1OC)N(C)Cc2c(Br)sc3nc(N)nc(N)c23 1036 dhfr 7.92 COc1cc(cc(OC)c1OC)N(C)Cc2ccc3nc(N)nc(N)c3c2Cl 1037 dhfr 7.59 COc1cc(cc(OC)c1OC)N(C)Cc2ccc3nc(N)nc(N)c3n2 1038 dhfr 4.28 COc1cc(cc(OC)c1OC)N(C)Cc2cccc3nc(N)nc(N)c23 1039 dhfr 4.35 COc1cc(cc(OC)c1OC)N(C)Cc2c(C)[nH]c3NC(N)=NC(=O)c23 1040 dhfr 6.55 COc1cc(cc(OC)c1OC)N(C)Cc2cnc3nc(N)nc(N)c3c2 1041 dhfr 8.12 COc1cc(cc(OC)c1OC)N(C)Cc2cnc3nc(N)nc(N)c3c2C 1042 dhfr 7.93 COc1cc(cc(OC)c1OC)N(CC#C)Cc2cnc3nc(N)nc(N)c3c2C 1043 dhfr 7.42 COc1cc(cc(OC)c1OC)N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2 1044 dhfr 7.13 COc1cc(cc(OC)c1OC)N(C[C@@H]2CCc3nc(N)nc(N)c3C2)C#C 1045 dhfr 4.00 COc1cc(cc(OC)c1OC)[N@H]2=C(N)NC(N)=NC2(C)C 1046 dhfr 5.21 COc1ccc(c(OC)c1OC)[N@H]2=C(N)NC(N)=NC2(C)C 1047 dhfr 6.30 COc1ccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c(OC)c1OC 1048 dhfr 6.22 COc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1 1049 dhfr 5.11 COc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1 1050 dhfr 4.69 COc1cc(CN2CC3=C4C(N)=NC(N)=NC4=NC(=O)C3=C2)cc(OC)c1OC 1051 dhfr 4.37 COc1cc(CN2CC3=C(C2)c4c(N)nc(N)nc4NC3=O)cc(OC)c1OC 1052 dhfr 4.93 COc1cc(CN2Cc3cnc4nc(N)nc(N)c4c3C2)cc(OC)c1OC 1053 dhfr 4.64 COc1cc(CN2CCc3c(C2)oc4nc(N)nc(N)c34)cc(OC)c1 1054 dhfr 6.46 COc1cc(CN2CCc3nc(N)nc(N)c3C2)c(Br)c(OC)c1OC 1055 dhfr 5.66 COc1cc(CN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1056 dhfr 6.08 COc1cc(CNc2ccc3nc(N)nc(N)c3c2)cc(OC)c1 1057 dhfr 6.05 COc1cc(CNc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC 1058 dhfr 8.22 COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 1059 dhfr 5.42 COc1ccc(Nc2ccc3nc(N)nc(N)c3n2)cc1 1060 dhfr 5.96 COc1ccc(Nc2ccc3nc(N)nc(N)c3n2)cc1OC 1061 dhfr 5.85 COc1cc(CNc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC 1062 dhfr 5.47 COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1 1063 dhfr 5.48 COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 1064 dhfr 8.09 COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 1065 dhfr 7.42 COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 1066 dhfr 7.14 COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1 1067 dhfr 7.22 COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1OC 1068 dhfr 6.49 COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)c(OC)c1 1069 dhfr 4.80 COc1ccc(NCc2c(C)[nH]c3NC(N)=NC(=O)c23)c(OC)c1 1070 dhfr 7.27 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c4ccccc14 1071 dhfr 7.25 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 1072 dhfr 7.54 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(C)c1 1073 dhfr 7.14 COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 1074 dhfr 7.48 COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 1075 dhfr 4.20 COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1 1076 dhfr 3.94 COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1OC 1077 dhfr 7.80 COc1ccc(N(C)Cc2ccc3nc(N)nc(N)c3n2)c(OC)c1 1078 dhfr 5.79 COc1cc(CN(C)C[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1079 dhfr 4.90 COc1cc(CNC[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1080 dhfr 5.46 COc1ccc(OC)c(c1)-c2nc3c(N)nc(N)nc3[nH]2 1081 dhfr 6.43 COc1ccc(OC)c(c1)-c2sc3nc(N)nc(N)c3c2C 1082 dhfr 6.38 COc1ccc(OC)c(c1)C(=O)OCc2ccc3nc(N)nc(N)c3c2 1083 dhfr 8.38 COc1ccc(OC)c(c1)N(C)c2ccc3nc(N)nc(N)c3n2 1084 dhfr 6.64 COc1cc(c(OC)cc1NCc2cnc3nc(N)nc(N)c3c2C)-n4cccc4 1085 dhfr 7.30 COc1ccc(OC)c(c1)N(C)Cc2ccc3nc(N)nc(N)c3n2 1086 dhfr 4.08 COc1ccc(OC)c(c1)N(C)Cc2cccc3nc(N)nc(N)c23 1087 dhfr 4.25 COc1ccc(OC)c(c1)N(C)Cc2c(C)[nH]c3NC(N)=NC(=O)c23 1088 dhfr 6.33 COc1ccc(OC)c(c1)N(C)Cc2cnc3nc(N)nc(N)c3n2 1089 dhfr 6.59 COc1ccc(OC)c(c1)N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2 1090 dhfr 8.82 COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 1091 dhfr 6.40 COc1ccc(OC)c(Cc2sc3nc(N)nc(N)c3c2C)c1 1092 dhfr 5.39 COc1ccc(OC)c(CCc2cccc3nc(N)nc(N)c23)c1 1093 dhfr 6.11 COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3c2C)c1 1094 dhfr 4.63 COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3n2)c1 1095 dhfr 5.51 COc1ccc(OC)c(CCc2csc3nc(N)nc(N)c23)c1 1096 dhfr 5.23 COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 1097 dhfr 4.59 COc1ccc(OC)c(CCCc2csc3nc(N)nc(N)c23)c1 1098 dhfr 4.92 COc1ccc(OCCCCCCCCC(O)=O)cc1Cc2cnc(N)nc2N 1099 dhfr 4.92 COc1ccc(OCCCCCCCC(O)=O)cc1Cc2cnc(N)nc2N 1100 dhfr 4.92 COc1ccc(OCCCCCCC(O)=O)cc1Cc2cnc(N)nc2N 1101 dhfr 4.77 COc1ccc(OCCCCCC(O)=O)cc1Cc2cnc(N)nc2N 1102 dhfr 5.72 COc1ccc(OC)c(CCCNc2ccc3nc(N)nc(N)c3c2Cl)c1 1103 dhfr 5.41 COc1ccc(OCCCCC(O)=O)cc1Cc2cnc(N)nc2N 1104 dhfr 7.47 COc1ccc(OC)c(C[C@@H]2CCc3nc(N)nc(N)c3C2)c1 1105 dhfr 5.68 COc1ccc(OC)c(CCNc2ccc3nc(N)nc(N)c3c2Cl)c1 1106 dhfr 5.59 COc1ccc(OCCCC(O)=O)cc1Cc2cnc(N)nc2N 1107 dhfr 5.85 COc1ccc(OC)c(CN2CCc3nc(N)nc(N)c3C2)c1 1108 dhfr 5.96 COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2)c1 1109 dhfr 7.55 COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 1110 dhfr 6.46 COc1ccc(OC)c(CNc2cnc3nc(N)nc(N)c3c2)c1 1111 dhfr 7.59 COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 1112 dhfr 7.24 COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1 1113 dhfr 5.44 COc1ccc(OC)c(Nc2ccc3nc(N)nc(N)c3n2)c1 1114 dhfr 4.48 COc1ccc(OC)c(NCc2c(Br)sc3nc(N)nc(N)c23)c1 1115 dhfr 7.36 COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1 1116 dhfr 4.33 COc1ccc(OC)c(NCc2c(C)[nH]c3NC(N)=NC(=O)c23)c1 1117 dhfr 6.34 COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1 1118 dhfr 4.64 COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3n2)c1 1119 dhfr 3.81 COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 1120 dhfr 4.54 COc1ccc(OC)c(NCc2nc3c(N)nc(N)nc3[nH]2)c1 1121 dhfr 6.25 COc1ccc(OC)c(NC[C@@H]2CCc3nc(N)nc(N)c3C2)c1 1122 dhfr 7.12 COc1ccc(Sc2ccc3nc(N)nc(N)c3n2)cc1 1123 dhfr 7.74 COc1ccc(Sc2ccc3nc(N)nc(N)c3n2)cc1OC 1124 dhfr 5.40 COc1ccc(SCc2cnc3nc(N)nc(N)c3c2)cc1OC 1125 dhfr 6.28 COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1 1126 dhfr 6.74 COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC 1127 dhfr 4.99 COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1 1128 dhfr 4.44 COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC 1129 dhfr 4.78 COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC 1130 dhfr 6.30 COc1c(Cl)c(N2C=CC3=C4C(N)=NC(N)=NC4=NC(=O)C3=C2)c(Cl)c(OC)c1OC 1131 dhfr 5.49 COc1cc(Nc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC 1132 dhfr 4.77 COc1cc(NCc2c(Br)sc3nc(N)nc(N)c23)cc(OC)c1OC 1133 dhfr 6.48 COc1cc(NCc2ccc3nc(N)nc(N)c3c2)c(Br)c(OC)c1OC 1134 dhfr 8.52 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC 1135 dhfr 8.01 COc1cc(NCc2ccc3nc(N)nc(N)c3c2Cl)c(Br)c(OC)c1OC 1136 dhfr 8.23 COc1cc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 1137 dhfr 4.70 COc1cc(NCc2c(C)[nH]c3NC(N)=NC(=O)c23)cc(OC)c1 1138 dhfr 4.66 COc1cc(NCc2c(C)[nH]c3NC(N)=NC(=O)c23)cc(OC)c1OC 1139 dhfr 7.77 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(c1)C(F)(F)F 1140 dhfr 5.46 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)c(cc1OC)-n4cccc4 1141 dhfr 6.09 COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 1142 dhfr 5.72 COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(c1)C(F)(F)F 1143 dhfr 6.06 COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1 1144 dhfr 5.72 COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC 1145 dhfr 4.25 COc1cc(NCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC 1146 dhfr 4.37 COc1cc(NCc2csc3nc(N)nc(N)c23)c(Br)c(OC)c1OC 1147 dhfr 4.47 COc1cc(NCc2nc3c(N)nc(N)nc3[nH]2)cc(OC)c1OC 1148 dhfr 6.54 COc1cc(NC[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1149 dhfr 2.43 COc1cc(NC[C@@H]2CNc3nc(N)nc(N)c3[C@H]2C)cc(OC)c1OC 1150 dhfr 4.49 COc1cc(OC)cc(c1)-c2nc3c(N)nc(N)nc3[nH]2 1151 dhfr 6.46 COc1cc(OC)cc(c1)C(=O)OCc2ccc3nc(N)nc(N)c3c2 1152 dhfr 4.06 COc1cc(OC)cc(c1)N(C)Cc2c(C)[nH]c3NC(N)=NC(=O)c23 1153 dhfr 4.94 COc1cc(OC)cc(c1)[N@H]2=C(N)NC(N)=NC2(C)C 1154 dhfr 5.15 COc1cc(OC)c(cc1OC)-c2nc3c(N)nc(N)nc3[nH]2 1155 dhfr 4.64 COc1cc(OC)c(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1 1156 dhfr 5.92 COc1cc(OC)c(CNc2cnc3nc(N)nc(N)c3c2)c(OC)c1 1157 dhfr 5.73 COc1cc(OC)c(c(OC)c1)-c2nc3c(N)nc(N)nc3[nH]2 1158 dhfr 5.80 COc1cc(OC)c(OC)cc1CNc2ccc3nc(N)nc(N)c3c2 1159 dhfr 5.96 COc1cc(OC)c(OC)cc1CNc2cnc3nc(N)nc(N)c3c2 1160 dhfr 6.27 CSc1cccc2nc(N)nc(N)c12 1161 dhfr 6.74 CSc1nc2nc(N)nc(N)c2c3CCCCc13 1162 dhfr 5.55 Nc1nc(N)c2c3CCCCc3cnc2n1 1163 dhfr 6.35 Nc1nc(N)c2c3CCCCc3c(nc2n1)-c4ccccc4 1164 dhfr 5.41 Nc1nc(N)c2c3CCCCc3sc2n1 1165 dhfr 5.89 Nc1nc(N)c2c3CCCCCc3sc2n1 1166 dhfr 5.72 Nc1nc(N)c2c3CCCCCCc3sc2n1 1167 dhfr 5.03 Nc1nc(N)c2c3CCCCCCCCCCc3sc2n1 1168 dhfr 4.09 Nc1nc(N)c2c3CCN(Cc3oc2n1)Cc4c(Cl)cccc4Cl 1169 dhfr 6.24 Nc1nc(N)c2c3CCN(Cc3sc2n1)c4ccccc4 1170 dhfr 4.82 Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3oc2n1 1171 dhfr 4.07 Nc1nc(N)c2c3CCN(Cc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc3oc2n1 1172 dhfr 4.29 Nc1nc(N)c2c3CCN(Cc4ccc(Cl)cc4Cl)Cc3oc2n1 1173 dhfr 4.69 Nc1nc(N)c2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3oc2n1 1174 dhfr 5.64 Nc1nc(N)c2c(Br)cccc2n1 1175 dhfr 5.62 Nc1nc(N)c2cc3ccc4ccccc4c3nc2n1 1176 dhfr 6.19 Nc1nc(N)c2cc3CCc4ccccc4-c3nc2n1 1177 dhfr 7.26 Nc1nc(N)c2cc3c(ccc4ccccc34)nc2n1 1178 dhfr 7.49 Nc1nc(N)c2cc-3c(CCc4ccccc-34)nc2n1 1179 dhfr 4.54 Nc1nc(N)c2Cc3ccccc3-c2n1 1180 dhfr 4.85 Nc1nc(N)c2cc(Br)ccc2n1 1181 dhfr 3.57 Nc1nc(N)c2c(Cc3ccccc3)c[nH]c2n1 1182 dhfr 4.52 Nc1nc(N)c2CCc3sccc3-c2n1 1183 dhfr 4.72 Nc1nc(N)c2ccc(Br)cc2n1 1184 dhfr 6.29 Nc1nc(N)c2c(CCc3ccccc3)cccc2n1 1185 dhfr 7.80 Nc1nc(N)c2c(ccc3ccc(Cl)cc23)n1 1186 dhfr 7.66 Nc1nc(N)c-2c(CCc3c(Cl)cc(Cl)cc-23)n1 1187 dhfr 5.82 Nc1nc(N)c2c(cccc2n1)\C=C/c3ccccc3 1188 dhfr 3.67 Nc1nc(N)c2c(cccc2n1)C(F)(F)F 1189 dhfr 4.20 Nc1nc(N)c2ccc(cc2n1)C(F)(F)F 1190 dhfr 5.39 Nc1nc(N)c2cc(ccc2n1)C(F)(F)F 1191 dhfr 6.38 Nc1nc(N)c2cc(ccc2n1)C(=O)OCc3ccccc3 1192 dhfr 4.28 Nc1nc(N)c2ccc(Cl)cc2n1 1193 dhfr 3.72 Nc1nc(N)c2ccc(F)cc2n1 1194 dhfr 4.54 Nc1nc(N)c2cc(Cl)ccc2n1 1195 dhfr 6.72 Nc1nc(N)c2cc(CN3c4ccccc4C=Cc5ccccc35)cnc2n1 1196 dhfr 7.26 Nc1nc(N)c2cc(CNc3cccc4ccccc34)ccc2n1 1197 dhfr 6.64 Nc1nc(N)c2cc(CNc3cccc4ccccc34)cnc2n1 1198 dhfr 6.36 Nc1nc(N)c2cc(CNc3ccccc3)ccc2n1 1199 dhfr 7.14 Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)ccc2n1 1200 dhfr 6.14 Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)cnc2n1 1201 dhfr 4.39 Nc1nc(N)c2cc(CO)ccc2n1 1202 dhfr 3.98 Nc1nc(N)c2cc(CO)cnc2n1 1203 dhfr 6.41 Nc1nc(N)c2cc(COC(=O)c3ccccc3)ccc2n1 1204 dhfr 5.41 Nc1nc(N)c2cc(COC(=O)c3ccccc3)cnc2n1 1205 dhfr 5.96 Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(O)=O)ccc2n1 1206 dhfr 6.66 Nc1nc(N)c2cc(CSc3ccc4ccccc4c3)cnc2n1 1207 dhfr 5.47 Nc1nc(N)c2cc(CSc3cccc4ccccc34)cnc2n1 1208 dhfr 5.72 Nc1nc(N)c2cc(CSc3ccccc3)cnc2n1 1209 dhfr 5.60 Nc1nc(N)c2cc(CSc3cc(Cl)ccc3Cl)cnc2n1 1210 dhfr 4.42 Nc1nc(N)c2cc(CSc3cc(Cl)cc(Cl)c3)cnc2n1 1211 dhfr 3.34 Nc1nc(N)c2cc(F)ccc2n1 1212 dhfr 4.23 Nc1nc(N)c2C[C@H]3CC[C@H](C3)c2n1 1213 dhfr 5.72 Nc1nc(N)c2C[C@@H](CCc2n1)c3ccccc3 1214 dhfr 6.74 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3ccccc3 1215 dhfr 6.72 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3cccc(c3)C(F)(F)F 1216 dhfr 5.14 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3ccc(Cl)c(Cl)c3 1217 dhfr 7.10 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3cccc(OC(F)(F)F)c3 1218 dhfr 6.77 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3ccc(OC(F)(F)F)cc3 1219 dhfr 7.10 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3cccs3 1220 dhfr 6.89 Nc1nc(N)c2C[C@@H](CCc2n1)Cc3ccsc3 1221 dhfr 6.57 Nc1nc(N)c2C[C@@H](CCc2n1)C[C@@H]3CCCO3 1222 dhfr 6.80 Nc1nc(N)c2C[C@@H](CCc2n1)CN3CCc4ccccc34 1223 dhfr 6.86 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3cccc4ccccc34 1224 dhfr 6.64 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3cccc(Br)c3 1225 dhfr 6.89 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3ccc(Cl)cc3 1226 dhfr 6.82 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3ccc(Cl)c(Cl)c3 1227 dhfr 6.62 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3cc(Cl)ccc3Cl 1228 dhfr 6.96 Nc1nc(N)c2C[C@@H](CCc2n1)CNc3c(Cl)cccc3Cl 1229 dhfr 5.23 Nc1nc(N)c2cc(I)ccc2n1 1230 dhfr 6.10 Nc1nc(N)c2c(Cl)c(Br)ccc2n1 1231 dhfr 5.41 Nc1nc(N)c2c(Cl)cccc2n1 1232 dhfr 5.46 Nc1nc(N)c2c(Cl)c(Cl)ccc2n1 1233 dhfr 5.82 Nc1nc(N)c2cc(NC3c4ccccc4C=Cc5ccccc35)ccc2n1 1234 dhfr 7.72 Nc1nc(N)c2cc(NC3c4ccccc4CCc5ccccc35)ccc2n1 1235 dhfr 4.44 Nc1nc(N)c2c(CNc3ccc4ccccc4c3)coc2n1 1236 dhfr 4.23 Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 1237 dhfr 4.92 Nc1nc(N)c2c(CNc3cccc4ccccc34)coc2n1 1238 dhfr 3.86 Nc1nc(N)c2c(CNc3ccccc3-c4ccccc4)coc2n1 1239 dhfr 3.60 Nc1nc(N)c2c(CNc3ccccc3)c[nH]c2n1 1240 dhfr 5.89 Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1 1241 dhfr 7.36 Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)c[nH]c2n1 1242 dhfr 4.84 Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 1243 dhfr 4.45 Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 1244 dhfr 4.14 Nc1nc(N)c2c(CNc3cc(Cl)ccc3Cl)coc2n1 1245 dhfr 5.00 Nc1nc(N)c2c(CNc3cc(Cl)c(c(Cl)c3)-n4cccc4)c(Br)sc2n1 1246 dhfr 4.59 Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 1247 dhfr 4.79 Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1 1248 dhfr 6.72 Nc1nc(N)c2cc(NCc3cccc4ccccc34)ccc2n1 1249 dhfr 6.62 Nc1nc(N)c2cc(NCc3cccc4ccccc34)cnc2n1 1250 dhfr 6.18 Nc1nc(N)c2cc(NCc3ccccc3)ccc2n1 1251 dhfr 5.68 Nc1nc(N)c2cc(NCc3ccccc3)cnc2n1 1252 dhfr 5.54 Nc1nc(N)c2cc(NCc3ccc(Oc4ccccc4)cc3)cnc2n1 1253 dhfr 6.55 Nc1nc(N)c2cc(NCCc3ccccc3)cnc2n1 1254 dhfr 5.04 Nc1nc(N)c2c(c[nH]c2n1)-c3ccccc3 1255 dhfr 4.21 Nc1nc(N)c2c(c[nH]c2n1)-c3ccc(Cl)cc3 1256 dhfr 4.64 Nc1nc(N)c2c(c[nH]c2n1)-c3ccc(Cl)c(Cl)c3 1257 dhfr 4.22 Nc1nc(N)c2c(COc3ccc4ccccc4c3)coc2n1 1258 dhfr 4.08 Nc1nc(N)c2c(CSc3ccc4ccccc4c3)c[nH]c2n1 1259 dhfr 4.91 Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2n1 1260 dhfr 5.52 Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 1261 dhfr 4.64 Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2n1 1262 dhfr 3.45 Nc1nc(N)c2c(CSc3ccc(cc3)-c4ccccc4)coc2n1 1263 dhfr 4.31 Nc1nc(N)c2c(CSc3ccccc3-c4ccccc4)coc2n1 1264 dhfr 4.51 Nc1nc(N)c2c(CSc3cccc(c3)-c4ccccc4)coc2n1 1265 dhfr 3.60 Nc1nc(N)c2c(CSc3ccccc3)coc2n1 1266 dhfr 4.74 Nc1nc(N)c2c(CSc3ccccc3Oc4ccccc4)coc2n1 1267 dhfr 5.28 Nc1nc(N)c2c(CSc3ccc(Cl)c(Cl)c3)c[nH]c2n1 1268 dhfr 4.41 Nc1nc(N)c2c(CSc3cccc(Oc4ccccc4)c3)coc2n1 1269 dhfr 4.19 Nc1nc(N)c2c(CSc3ccc(Oc4ccccc4)cc3)coc2n1 1270 dhfr 5.30 Nc1nc(N)c2c(F)cccc2n1 1271 dhfr 4.37 Nc1nc(N)c2[C@H]3CC[C@H](C3)c2n1 1272 dhfr 3.63 Nc1nc(N)c2[C@H]3C[C@H](CC(=O)C3)Cc2n1 1273 dhfr 5.62 Nc1nc(N)c2c(I)cccc2n1 1274 dhfr 5.21 Nc1nc(N)c2c(OCC(F)(F)C(F)(F)C(F)(F)F)cccc2n1 1275 dhfr 6.39 Nc1nc(N)c2c(OCC(F)(F)C(F)(F)F)cccc2n1 1276 dhfr 6.85 Nc1nc(N)c2c(OCC(F)(F)F)cccc2n1 1277 dhfr 5.89 Nc1nc(N)c2nc3c(ccc4ccccc34)nc2n1 1278 dhfr 4.57 Nc1nc(N)c2nc(CC3CCCCC3)c(CC4CCCCC4)nc2n1 1279 dhfr 4.19 Nc1nc(N)c2nc(Cc3cccc(c3)C(F)(F)F)c(Cc4cccc(c4)C(F)(F)F)nc2n1 1280 dhfr 5.80 Nc1nc(N)c2nc(Cc3ccccc3)[nH]c2n1 1281 dhfr 5.08 Nc1nc(N)c2nc(Cc3ccc(Cl)cc3)c(Cc4ccc(Cl)cc4)nc2n1 1282 dhfr 4.74 Nc1nc(N)c2nc(Cc3ccc(Cl)c(Cl)c3)c(Cc4ccc(Cl)c(Cl)c4)nc2n1 1283 dhfr 4.22 Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1 1284 dhfr 5.35 Nc1nc(N)c2nc(CCc3ccccc3)c(CCc4ccccc4)nc2n1 1285 dhfr 5.57 Nc1nc(N)c2nc(CCCc3ccccc3)c(CCCc4ccccc4)nc2n1 1286 dhfr 5.89 Nc1nc(N)c2nc(\C=C\C(=O)Oc3ccccc3)cnc2n1 1287 dhfr 7.26 Nc1nc(N)c2nc(Cn3c4ccccc4c5ccccc35)cnc2n1 1288 dhfr 7.57 Nc1nc(N)c2nc(CN3c4ccccc4Cc5ccccc35)cnc2n1 1289 dhfr 7.28 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5ccccc35)ccc2n1 1290 dhfr 5.29 Nc1nc(N)c2nc(CN3c4ccccc4CCc5ccccc35)cnc2n1 1291 dhfr 5.36 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5ccccc35)cnc2n1 1292 dhfr 4.89 Nc1nc(N)c2nc(CN3c4ccccc4Oc5ccccc35)cnc2n1 1293 dhfr 6.70 Nc1nc(N)c2nc(CN3c4ccccc4Sc5ccccc35)cnc2n1 1294 dhfr 6.68 Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1 1295 dhfr 7.40 Nc1nc(N)c2nc(CNc3cccc4ccccc34)ccc2n1 1296 dhfr 5.90 Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 1297 dhfr 5.40 Nc1nc(N)c2nc(CN(c3ccccc3)c4ccccc4)cnc2n1 1298 dhfr 6.59 Nc1nc(N)c2nc(CNc3ccccc3)ccc2n1 1299 dhfr 6.85 Nc1nc(N)c2nc(CNc3ccccc3Cl)ccc2n1 1300 dhfr 7.77 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)cnc2n1 1301 dhfr 6.85 Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 1302 dhfr 7.06 Nc1nc(N)c2nc(CNc3ccc(Cl)cc3Cl)ccc2n1 1303 dhfr 6.52 Nc1nc(N)c2nc(CNc3ccc(Cl)cc3)cnc2n1 1304 dhfr 7.27 Nc1nc(N)c2nc(CNc3ccc(Cl)c(Cl)c3)ccc2n1 1305 dhfr 6.70 Nc1nc(N)c2nc(CNc3cc(Cl)ccc3Cl)ccc2n1 1306 dhfr 7.36 Nc1nc(N)c2nc(CNc3cc(Cl)c(Cl)c(Cl)c3)ccc2n1 1307 dhfr 7.09 Nc1nc(N)c2nc(CNc3c(Cl)cccc3Cl)ccc2n1 1308 dhfr 6.24 Nc1nc(N)c2nc(CNc3c(Cl)cc(Cl)cc3Cl)ccc2n1 1309 dhfr 8.12 Nc1nc(N)c2nc(CN(C#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1 1310 dhfr 4.89 Nc1nc(N)c2nc(COc3ccccc3)cnc2n1 1311 dhfr 5.15 Nc1nc(N)c2nc(COC(=O)c3ccccc3)cnc2n1 1312 dhfr 5.64 Nc1nc(N)c2nc(COC(=O)Cc3ccccc3)cnc2n1 1313 dhfr 7.07 Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2n1 1314 dhfr 3.97 Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)[nH]c2n1 1315 dhfr 6.80 Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2n1 1316 dhfr 5.09 Nc1nc(N)c2nc(CSc3cccc4ccccc34)cnc2n1 1317 dhfr 6.28 Nc1nc(N)c2nc(CSc3ccccc3)ccc2n1 1318 dhfr 3.61 Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1 1319 dhfr 4.58 Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1 1320 dhfr 4.84 Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1 1321 dhfr 5.70 Nc1nc(N)c2nc(Nc3ccc4ccccc4c3)ccc2n1 1322 dhfr 6.37 Nc1nc(N)c2nc(Nc3ccccc3)ccc2n1 1323 dhfr 6.09 Nc1nc(N)c2nc(Nc3ccc(Cl)cc3)ccc2n1 1324 dhfr 3.55 Nc1nc(N)c2nc([nH]c2n1)-c3ccc4ccccc4c3 1325 dhfr 4.22 Nc1nc(N)c2nc([nH]c2n1)-c3ccccc3 1326 dhfr 4.52 Nc1nc(N)c2nc([nH]c2n1)-c3ccc(cc3)-c4ccccc4 1327 dhfr 3.60 Nc1nc(N)c2nc([nH]c2n1)-c3ccc(Cl)c(Cl)c3 1328 dhfr 4.96 Nc1nc(N)c2nc([nH]c2n1)-c3c(Cl)cccc3Cl 1329 dhfr 4.74 Nc1nc(N)c2nc([nH]c2n1)-c3ccncc3 1330 dhfr 4.53 Nc1nc(N)c2[nH]c(nc2n1)C3[C@@H]4C=CC=C[C@@H]4[C@@H]5C=CC=C[C@H]35 1331 dhfr 5.69 Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(\C=C\c3ccc4ccccc4c3)n1 1332 dhfr 7.06 Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(\C=C\Cc3ccccc3)n1 1333 dhfr 3.73 Nc1nc(N)c(c(CC#N)n1)-c2ccc(Cl)cc2 1334 dhfr 5.97 Nc1nc(N)c(c(CNc2ccc(cc2)[N+]([O-])=O)n1)-c3ccc(Cl)cc3 1335 dhfr 6.95 Nc1nc(N)c(c(COc2cccc3ccccc23)n1)-c4ccc(Cl)c(Cl)c4 1336 dhfr 5.89 Nc1nc(N)c(c(COc2ccccc2)n1)-c3ccc(Cl)c(Cl)c3 1337 dhfr 4.37 Nc1nc(N)c(c(COc2ccc(cc2)[N+]([O-])=O)n1)-c3ccc(Cl)cc3 1338 dhfr 3.66 NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 1339 dhfr 6.96 Cc1c(CNc2cccc3ccccc23)cnc4nc(N)nc(N)c14 1340 dhfr 7.20 Cc1c(CNc2ccc(Cl)cc2)cnc3nc(N)nc(N)c13 1341 dhfr 7.60 CN(Cc1ccc2nc(N)nc(N)c2n1)c3ccc(Cl)c(Cl)c3 1342 dhfr 8.15 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC 1343 dhfr 7.00 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1 1344 dhfr 6.35 COc1ccc(OC)c(c1)N(C)Cc2cnc3nc(N)nc(N)c3c2C 1345 dhfr 6.40 COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3n2)c1 1346 dhfr 6.55 COc1cc(NCc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC 1347 dhfr 7.40 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1 1348 dhfr 8.40 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC 1349 gpb 2.80 OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 1350 gpb 1.30 C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1351 gpb 1.90 CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1352 gpb 1.60 CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1353 gpb 1.60 OCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1354 gpb 1.60 OC[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O 1355 gpb 1.80 OC[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O 1356 gpb 2.80 OC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1357 gpb 1.70 OC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1358 gpb 1.80 OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O 1359 gpb 2.40 CS(=O)(=O)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1360 gpb 1.50 [NH3+]C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1361 gpb 2.30 [NH3+]CC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1362 gpb 2.10 OC[C@H]1O[C@@](O)(CC#N)[C@H](O)[C@H](O)[C@@H]1O 1363 gpb 3.40 NC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1364 gpb 2.70 OC[C@H]1S[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 1365 gpb 2.60 OC[C@H]1O[C@H](Oc2cc3ccccc3[nH]2)[C@H](O)[C@H](O)[C@@H]1O 1366 gpb 2.50 NNC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1367 gpb 1.70 NC(=O)CS[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1368 gpb 3.40 NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1369 gpb 1.90 OC[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)Nc2ccccc2 1370 gpb 2.30 OC[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)Nc2ccc(O)cc2 1371 gpb 1.60 COC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1372 gpb 3.70 OC[C@H]1O[C@H](F)[C@H](F)[C@@H](O)[C@@H]1O 1373 gpb 3.70 CNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1374 gpb 3.40 NNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1375 gpb 4.40 OC[C@H]1O[C@@H](NC(=O)CCl)[C@H](O)[C@H](O)[C@@H]1O 1376 gpb 4.50 CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1377 gpb 4.40 CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1378 gpb 4.40 OC[C@H]1O[C@@H](NC(=O)CBr)[C@H](O)[C@H](O)[C@@H]1O 1379 gpb 4.00 CCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1380 gpb 3.40 NCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1381 gpb 2.30 OC[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)Nc2ccccc2 1382 gpb 4.80 COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(N)=O 1383 gpb 2.60 OCCNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1384 gpb 2.40 OC[C@H]1O[C@@H](SCC(=O)Nc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 1385 gpb 2.40 OC[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)Nc2ccc(O)cc2 1386 gpb 2.10 OC[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)NCC(F)(F)F 1387 gpb 5.50 OC[C@H]1O[C@@]2(NC(=O)NC2=O)[C@H](O)[C@H](O)[C@@H]1O 1388 gpb 4.20 OC[C@H]1O[C@@]2(NC(=O)CNC2=O)[C@H](O)[C@H](O)[C@@H]1O 1389 gpb 2.10 OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O 1390 gpb 2.10 OC[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)NCCC(F)(F)F 1391 gpb 1.80 OC[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C([O-])=O 1392 gpb 4.10 COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1393 gpb 2.10 OC[C@H]1O[C@@](O)(CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O 1394 gpb 2.30 CS(=O)(=O)OC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1395 gpb 1.80 [NH3+]C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1396 gpb 2.00 OC[C@H]1O[C@@H](CC#N)[C@@H](O)[C@@H](O)[C@@H]1O 1397 gpb 1.80 OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 1398 gpb 3.00 OC[C@H]1O[C@@H](S)[C@H](O)[C@H](O)[C@@H]1O 1399 gpb 2.10 OC[C@H]1O[C@H](Oc2ccccc2CO)[C@H](O)[C@H](O)[C@@H]1O 1400 gpb 1.40 CNC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1401 gpb 2.60 COC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1402 gpb 4.10 OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 1403 gpb 3.90 NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1404 gpb 3.50 OC[C@H]1O[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 1405 gpb 3.00 CC(=O)NCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 1406 gpb 2.70 CNNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1407 gpb 1.70 OC[C@H]1O[C@@H](SCC(=O)Nc2ccc(F)cc2F)[C@H](O)[C@H](O)[C@@H]1O 1408 gpb 2.90 OC[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC2CC2 1409 gpb 2.60 OC[C@H]1O[C@@H](Oc2cc3ccccc3[nH]2)[C@H](O)[C@H](O)[C@@H]1O 1410 gpb 6.80 NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O 1411 gpb 1.80 OCCNC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1412 gpb 1.60 OC[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)NCc2ccc(F)cc2F 1413 gpb 3.30 CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O 1414 gpb 4.40 OC[C@H]1O[C@@]2(NC(=O)N(O)C2=O)[C@H](O)[C@H](O)[C@@H]1O 1415 therm 2.47 CC(C)C[C@H](N(O)C(C)=O)C(=O)N[C@@H](C)C(=O)NCC(N)=O 1416 therm 6.12 C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)NCC(N)=O 1417 therm 8.82 CCCCCC[P@@]([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 1418 therm 2.51 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)=O)C(=O)NCC(N)=O 1419 therm 7.47 CC(C)C[C@@H](N[C@@H](CCc1ccccc1)C([O-])=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C([O-])=O 1420 therm 6.22 CC(C)C[C@@H](N[C@@H](CCc1ccccc1)C([O-])=O)C(=O)N[C@H](Cc2ccccc2)C([O-])=O 1421 therm 5.55 CC(C)C[C@H](N[C@@H](C)C([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O 1422 therm 6.66 CC(C)C[C@H](N[C@@H](CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C([O-])=O)C(=O)N[C@H](Cc3ccccc3)C([O-])=O 1423 therm 6.18 C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NO)C(=O)NCC(N)=O 1424 therm 6.18 C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NO)C(=O)NCC([O-])=O 1425 therm 3.38 C[C@H](NC(=O)[C@H](Cc1ccccc1)C([O-])=O)C(=O)NCC(N)=O 1426 therm 6.07 CC(C)C[C@H](N[C@@H](CCNC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C([O-])=O)C(=O)N[C@H](Cc2ccccc2)C([O-])=O 1427 therm 3.46 NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2 1428 therm 4.41 CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NO 1429 therm 3.60 CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NO 1430 therm 1.68 CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 1431 therm 6.39 CC(C)C[C@H](N[C@@H](CCNC(=O)CNC(=O)OCc1ccccc1)C([O-])=O)C(=O)N[C@H](Cc2ccccc2)C([O-])=O 1432 therm 7.73 CC(C)C[C@@H](C[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C)C([O-])=O 1433 therm 7.18 CC(C)C[C@H](C[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C([O-])=O 1434 therm 6.52 CC(C)C[C@H](C[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O 1435 therm 6.74 CC(C)C[C@@H](C[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C([O-])=O 1436 therm 7.78 CC(C)C[C@@H](N[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C)C([O-])=O 1437 therm 7.12 CC(C)C[C@H](N[P@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C([O-])=O 1438 therm 6.57 CC(C)C[C@H](N[P@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O 1439 therm 8.04 CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)N[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O 1440 therm 4.89 CC(C)C[C@@H](O[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C)C([O-])=O 1441 therm 4.27 CC(C)C[C@@H](O[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc2ccccc2)C([O-])=O 1442 therm 5.05 CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)O[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O 1443 therm 3.18 CC(C)C[C@H](O[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(N)=O 1444 therm 4.32 CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO 1445 therm 2.51 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(N)=O 1446 therm 5.57 CC(C)C[C@H](NC(=O)NNC(=O)OCc1ccccc1)C(=O)NO 1447 therm 5.84 CCCCCC[P@]([O-])(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 1448 therm 2.47 CC(C)C[C@H](N(O)C=O)C(=O)N[C@@H](C)C(=O)NCC(N)=O 1449 therm 7.96 CC(C)C[C@H](N[C@@H](CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C([O-])=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C([O-])=O 1450 therm 2.96 C[C@H](NC(=O)[C@H](C)C(=O)NO)C(=O)NCC(N)=O 1451 therm 4.06 C[C@H](NC(=O)[C@H](C)NP([O-])([O-])=O)C([O-])=O 1452 therm 4.14 [O-]C(=O)[C@@H](Cc1ccccc1)NP([O-])([O-])=O 1453 therm 2.79 [O-]C(=O)[C@H](Cc1ccccc1)NC(=O)CCc2ccccc2 1454 therm 5.59 C[C@H](NC(=O)[C@H](Cc1ccccc1)NP([O-])([O-])=O)C(=O)NCC(N)=O 1455 therm 0.52 CO[P@](=O)(N[C@@H](CC(C)C)C(N)=O)Oc1ccccc1 1456 therm 2.65 CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N(C)O 1457 therm 6.12 CC(C)C[C@H](N[P@]([O-])(=O)CNC(=O)OCc1ccccc1)C(N)=O 1458 therm 3.64 CC(C)C[C@@H](O[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O 1459 therm 7.28 CCCCCC[P@]([O-])(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 1460 therm 2.42 CCCC[C@H](N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C([O-])=O)C([O-])=O 1461 therm 2.54 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CO)C(=O)NCC(N)=O 1462 therm 6.32 CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O 1463 therm 7.72 CC(C)C[C@H](NP([O-])([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O 1464 therm 0.52 CCNP([O-])([O-])=O 1465 therm 6.44 CC[C@H](C)[C@H](NP([O-])([O-])=O)C(=O)N[C@@H](C)C([O-])=O 1466 therm 5.64 [O-]C(=O)CC(=O)N[C@@H](CS)Cc1ccccc1 1467 therm 2.37 C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(O)(=O)=O)C(=O)NCC(N)=O 1468 therm 5.85 CC(C)C[C@H](C[P@@]([O-])(=O)CNC(=O)OCc1ccccc1)C(N)=O 1469 therm 3.29 [O-]C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 1470 therm 0.52 C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)C(=O)NCC(N)=O 1471 therm 5.77 CC(C)C[C@@H](N[C@@H](CCc1cccc(CN)c1)C([O-])=O)C(=O)N[C@H](Cc2ccccc2)C([O-])=O 1472 therm 6.37 C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NO)C(=O)NCC(=O)Nc2ccc(cc2)[N+]([O-])=O 1473 therm 4.70 CCOC(=O)[C@H](Cc1ccccc1)C(=O)NO 1474 therm 3.72 CC(C)C[C@H](N)C(=O)NO 1475 therm 7.55 CC(C)C[C@@H](N[P@@]([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C([O-])=O 1476 therm 4.10 CC(C)C[C@H](NP([O-])([O-])=O)C(N)=O 1477 therm 5.16 C[C@H](NC(=O)[C@H](Cc1ccccc1)N[P@@]([O-])(S)=O)C(=O)NCC(N)=O 1478 therm 5.74 [O-]C(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 1479 therm 3.03 ONC(=O)CNC(=O)CNC(=O)OCc1ccccc1 1480 therm 3.66 NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2 1481 therm 3.42 CC(C)C[C@H](NC(=O)NNC(=O)OCc1ccccc1)C(N)=O 1482 thr 8.37 CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCN(CC3)S(C)(=O)=O 1483 thr 8.30 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc(cc3)C(C)(C)C 1484 thr 8.21 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1485 thr 8.06 CN(C)C(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1486 thr 7.80 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3cccc4ccccc34 1487 thr 7.77 COC(=O)C1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1488 thr 7.68 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCCC4)c1 1489 thr 7.64 CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1490 thr 7.58 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc(C)cc3 1491 thr 7.47 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3 1492 thr 7.43 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCc5ccccc5C4)c1 1493 thr 7.43 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCN(CC4)C=O)c1 1494 thr 7.24 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCN(CC4)C(=O)CO)c1 1495 thr 7.23 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3c(C)cc(C)cc3C 1496 thr 7.19 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCC4)c1 1497 thr 7.12 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C 1498 thr 7.05 COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCC(C)CC3 1499 thr 7.02 COC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1500 thr 6.96 CC(C)OC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1501 thr 6.82 COC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1502 thr 6.82 COC(=O)C1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C 1503 thr 6.80 CNC(=O)C1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1504 thr 6.70 COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](Cc3cccc(c3)[C+](N)N)NS(=O)(=O)c4ccc5ccccc5c4 1505 thr 6.68 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC(CC4)C(=O)OCc5ccccc5)c1 1506 thr 6.64 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(=O)N4CCCCC4)c1 1507 thr 6.58 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCC[C@@H]4C([O-])=O)c1 1508 thr 6.55 COC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1509 thr 6.55 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC[C@@H](C4)C(=O)NCc5ccccc5)c1 1510 thr 6.50 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CC[C@@H]5CCCC[C@@H]45)c1 1511 thr 6.47 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCCCC3 1512 thr 6.38 COC(=O)[C@H]1CCC[C@H](C)N1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1513 thr 6.30 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CC[NH2+]CC4)c1 1514 thr 6.24 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC(CC4)C([O-])=O)c1 1515 thr 6.18 COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1516 thr 6.16 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4Cc5ccccc5C[C@@H]4C(=O)OCc6ccccc6)c1 1517 thr 5.96 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC[C@H](C4)C([O-])=O)c1 1518 thr 5.75 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCC[C@@H](C3)C(=O)NCc4ccccc4 1519 thr 5.64 CNC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1520 thr 5.54 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC[C@H]4C([O-])=O)c1 1521 thr 5.51 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3OC(C)(C)CCc3c2 1522 thr 5.24 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1523 thr 5.21 CC(C)NC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1524 thr 4.89 CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H]([NH3+])Cc2cccc(c2)[C+](N)N 1525 thr 4.77 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2c(C)cc(OC)c(C)c2C 1526 thr 4.57 CC1CCN(CC1)C(=O)[C@@H]([NH3+])Cc2cccc(c2)[C+](N)N 1527 thr 8.48 CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1528 thr 7.89 CCCCOC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1529 thr 7.58 CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3cccc4ccccc34 1530 thr 7.52 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCCCC4)c1 1531 thr 7.44 C[NH+]1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1532 thr 7.28 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCC4)c1 1533 thr 7.16 COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1534 thr 6.77 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCOCC3 1535 thr 6.52 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC[C@@H](C4)C(=O)OCc5ccccc5)c1 1536 thr 6.28 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCN(CC4)c5ccccc5)c1 1537 thr 6.28 COC(=O)[C@H]1[C@@H](C)CCCN1C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1538 thr 6.15 CC(C)OC(=O)C1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1539 thr 5.42 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C 1540 thr 4.75 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc(C)cc2 1541 thr 8.38 CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3cccc(c3)[C+](N)N)C(=O)N4CCN(CC4)S(C)(=O)=O 1542 thr 8.13 CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N[C@@H](Cc3cccc(c3)[C+](N)N)C(=O)N4CCN(CC4)S(C)(=O)=O 1543 thr 7.85 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C 1544 thr 7.75 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4Cc5ccccc5C[C@H]4C([O-])=O)c1 1545 thr 7.72 COC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1546 thr 7.58 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3 1547 thr 7.50 COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCN(CC3)S(C)(=O)=O 1548 thr 7.38 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)OCc4ccccc4)c1 1549 thr 7.38 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCOCC4)c1 1550 thr 6.92 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4Cc5ccccc5C=C4C([O-])=O)c1 1551 thr 6.92 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCc5ccccc45)c1 1552 thr 6.92 CCCCNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2ccc3ccccc3c2 1553 thr 6.75 COC(=O)C1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3c(C)cc(C)cc3C 1554 thr 6.64 CNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C 1555 thr 6.47 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3cccc4cccnc34 1556 thr 6.46 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCCC3 1557 thr 6.29 CC(C)OC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1558 thr 6.20 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC[C@H]4C(=O)OCc5ccccc5)c1 1559 thr 6.05 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCC[C@@H](C3)C(=O)OCc4ccccc4 1560 thr 5.92 CC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NC(=O)OC(C)(C)C 1561 thr 5.68 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC(CC4)C(=O)OC5CCCCC5)c1 1562 thr 5.51 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC(CC4)C(=O)NCc5ccccc5)c1 1563 thr 5.14 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCC[C@@H](C3)C([O-])=O 1564 thr 4.82 N[C+](N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCC(CC4)[NH+]5CCCCC5)c1 1565 thr 4.52 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C([O-])=O)c1 1566 thr 4.46 N[C+](N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CC(=Cc5ccccc45)C([O-])=O)c1 1567 thr 4.36 CNC(=O)[C@H](Cc1cccc(c1)[C+](N)N)NS(=O)(=O)c2c(C)cc(C)cc2C 1568 thr 6.58 CNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc2cccc(c2)[C+](N)N)NS(=O)(=O)c3ccc4ccccc4c3 1569 thr 6.55 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)[C+](N)N)C(=O)N3CCN(CC3)S(C)(=O)=O