0 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14704 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14705 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14706 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 AC1156 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 C11072 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)S1 71502 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.435 NC(=S)C1=NC2=C(C=CC=C2)N1 S11233 [0,0,0,0,0,0|2,1,0]=3 8 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 F53481 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 C15257 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 C73379 [0,0,0,0,0,0|1,0,2]=3 14 B13R2.435 O=C([O-])C1=NN2C=CC=CC2=N1 AT20834 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.435 O=[S@]([O-])C1=CC2=C(C=CC=C2)O1 F14144 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 AC1020 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.32 O=CC1=CN2C=CN=CC2=N1 F14127 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [1,0,0,0,0,0|1,0,1]=3 22 B12R2.32 O=CC1=NN2C=CC=CC2=C1 F14285 [1,0,0,0,0,0|1,0,1]=3 23 B12R2.32 O=CC1=NN2C=CC=CC2=N1 C10020 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.32 OCC1=CC2=C(C=CC=N2)S1 98421 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.32 OCC1=NN2C=CC=CC2=C1 F14284 [1,0,0,0,0,0|1,0,2]=4 26 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 D72541 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=N2)O1 F14422 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.450 CC(=O)C1=C(O)C2=C(C=CC=C2)O1 D73268 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C P10161 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.450 CC1=C(C(=O)Cl)SC2=C1C=CC=C2 A11319 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.450 CN1C(C(N)=O)=CC2=C1C=CC=C2 F13270 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.450 NC1=C(C(=O)O)N=C2C=CC=CN21 58232 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.450 NC1=C(C(=O)O)OC2=C1C=CC=N2 N13338 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=C2 89769 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,1,0,0,0,0|0,0,0]=1 36 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Br D74144 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)N1 63404 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 87472 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.972 COC(=O)C1=CN2C=CC=NC2=N1 F53829 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.972 COC(=O)C1=CN2C=CN=CC2=N1 89043 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 P10121 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.972 NNC(=O)C1=NN2C=CC=CC2=C1 C16401 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14712 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14713 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14714 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)O1 D73269 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.972 O=C(CCl)C1=NC2=C(C=CC=C2)N1 AT16470 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.972 O=C(CO)C1=CC2=C(C=CC=C2)S1 AC3909 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)O1 23914 [0,1,0,0,0,0|1,0,1]=3 50 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)S1 23930 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 O11686 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.4529 CC(=O)C1=CC2=C(C=C(O)C=C2)O1 D73259 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.4529 CC(=O)C1=CC2=C(C=CC(C)=C2)O1 D73254 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 D73253 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.4529 CC(=O)C1=CC2=C(C=CC(F)=C2)O1 D73262 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.4529 CC(=O)C1=CC2=C(C=CC(O)=C2)O1 D73257 [0,1,0,0,0,0|2,0,0]=3 57 B14R2.4529 CC(=O)C1=NC2=C(C=CC(Br)=C2)O1 F13168 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.4529 CC(=O)C1=NC2=C(C=CC(C)=C2)N1 AT16466 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 AC6258 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 95736 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=N2 72138 [0,1,0,0,0,0|1,0,1]=3 62 B14R2.4529 CC1=CN2N=C(C(=O)O)C=C2N=C1 D74149 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 W15833 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.4529 C[C@H](O)C1=NC2=C(C=C(Br)C=C2)N1 Y14879 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.4529 C[C@H](O)C1=NC2=C(C=CC(Br)=C2)N1 F17515 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=N2 F13779 [0,1,0,0,0,0|1,0,1]=3 67 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 82317 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 F19767 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 P12340 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)S1 96682 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)N=C2)N1 F31002 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2S1 AT10710 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=NC2=N1 C77612 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)O1 F13818 [0,1,0,0,0,0|1,0,1]=3 75 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 P11109 [0,1,0,0,0,0|1,0,1]=3 76 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)O1 24218 [0,1,0,0,0,0|1,0,1]=3 77 B14R2.4529 O=C(O)C1=NN2C=C(F)C=CC2=N1 W16440 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.4529 O=C(O)[C@@H]1CC2=C(C=CC(Cl)=C2)O1 F14732 [0,1,0,0,0,0|1,0,2]=4 79 B14R2.4529 O=C([O-])C1=NC2=C(C=C(F)C=C2)O1 P19780 [0,1,0,0,0,0|1,0,2]=4 80 B14R2.4529 O=C([O-])C1=NC2=C(C=CC(F)=C2)O1 AT24297 [0,1,0,0,0,0|1,0,2]=4 81 B14R2.4529 OB(O)C1=CC2=C(C=C(Br)C=C2)S1 98452 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.4529 OB(O)C1=CC2=C(C=C(Cl)C=C2)S1 D72067 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)S1 89386 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)S1 89385 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)N1 AC8192 [0,1,0,0,0,0|1,0,1]=3 86 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 D73261 [0,1,0,0,0,0|2,0,0]=3 87 B14R2.7969 CC1=C2SC(C(=O)O)=NC2=CC=C1 72140 [0,1,0,0,0,0|1,0,1]=3 88 B14R2.7969 CC1=CN=CC2=NC(C(=O)O)=CN12 D79229 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.7969 NC(=O)C1=CC2=C(S1)C(Cl)=NC=C2 57205 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.7969 NC(=O)C1=CC2=NC=CC(Cl)=C2S1 57215 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 N16833 [0,1,0,0,0,0|0,0,0]=1 92 B14R2.7969 NC1=CC=CN2C=C(C(=O)O)N=C12 68912 [0,1,0,0,0,0|1,0,1]=3 93 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2O1 AC4013 [0,1,0,0,0,0|1,0,0]=2 94 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 C71993 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 W19085 [0,1,0,0,0,0|2,0,0]=3 96 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 82139 [0,1,0,0,0,0|0,0,0]=1 97 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2O1 98433 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 P11354 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=C1 E71162 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.7969 O=C(O)C1=CN2C=CC=C(Cl)C2=C1 E71161 [0,1,0,0,0,0|2,0,0]=3 101 B14R2.7969 O=C(O)C1=CN2C=CC=C(Cl)C2=N1 68908 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 P11108 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 P11110 [0,1,0,0,0,0|1,0,1]=3 104 B14R2.7969 O=C(O)C1=NN2C=CNC(=O)C2=C1 D77092 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.7969 O=C(O)[C@@H]1CC2=CC=CC(Cl)=C2O1 76405 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,0,1,0,0,0|1,0,2]=4 107 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,0,1,0,0,0|2,0,1]=4 108 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,0,1,0,0,0|2,0,0]=3 109 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,0,1,0,0,0|1,0,2]=4 110 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,0,1,0,0,0|0,0,2]=3 111 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,0,1,0,0,0|0,0,2]=3 112 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,0,1,0,0,0|0,0,2]=3 113 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,0,1,0,0,0|1,0,0]=2 114 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,0,1,0,0,0|1,0,1]=3 115 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,0,1,0,0,0|1,0,1]=3 116 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,0,1,0,0,0|2,0,1]=4 118 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 D88054 [0,0,0,0,1,0|3,0,0]=4 119 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 C90264 [0,0,0,0,1,0|1,0,0]=2 120 B12R2.252 O=C(O)C1=CC2=C(N1)SC=N2 D86316 [0,0,0,0,1,0|2,0,0]=3 121 B12R2.252 O=C(O)C1=CC2=C(OC=C2)S1 D86314 [0,0,0,0,1,0|2,0,0]=3 122 B12R2.252 O=C(O)C1=CN2C=CSC2=C1 D86313 [0,0,0,0,1,0|3,0,0]=4 123 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 F12252 [0,0,0,0,1,0|2,0,1]=4 124 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 O10525 [0,0,0,0,0,1|2,0,1]=4 125 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 69167 [0,0,0,0,0,1|1,0,1]=3 126 B14R2.781 CC(=O)C1=CC2=NC=CC=C2C=C1 92480 [0,0,0,0,0,1|3,0,0]=4 127 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2N=C1 92510 [0,0,0,0,0,1|1,0,2]=4 128 B14R2.781 NC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 F13196 [0,0,0,0,0,1|1,0,2]=4 129 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 C15561 [0,0,0,0,0,1|1,0,1]=3 130 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 F19550 [0,0,0,0,0,1|0,0,2]=3 131 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50349 [0,0,0,0,0,1|1,0,2]=4 132 B14R2.781 O=C(O)[C@@H]1CSC2=C(C=CC=C2)O1 AT20924 [0,0,0,0,0,1|1,0,2]=4 133 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=N1 C15331 [0,0,0,0,0,1|1,0,2]=4 134 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 F16122 [0,0,0,0,0,1|1,0,2]=4 135 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,0,1,0,0,0|1,0,0]=3 136 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,0,1,0,0,0|1,0,0]=3 137 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [2,0,0,0,0,0|2,0,0]=4 138 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [2,0,0,0,0,0|1,0,1]=4 139 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [2,0,0,0,0,0|1,0,0]=3 140 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [2,0,0,0,0,0|1,0,0]=3 141 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [2,0,0,0,0,0|1,0,0]=3 142 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [2,0,0,0,0,0|1,0,1]=4 143 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [2,0,0,0,0,0|1,0,1]=4 144 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [2,0,0,0,0,0|2,0,0]=4 145 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [2,0,0,0,0,0|2,0,0]=4 146 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,1,1,0,0,0|1,0,1]=4 147 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [0,1,1,0,0,0|1,0,1]=4 148 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [0,1,1,0,0,0|0,0,2]=4 149 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [0,1,1,0,0,0|0,0,2]=4 151 B13R1.135 COC(=O)C(=O)NC1=CC=NC=C1 A51225 [0,1,1,0,0,0|2,0,0]=4 152 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,1,1,0,0,0|0,0,2]=4 153 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 N14313 [0,1,1,0,0,0|0,0,2]=4 154 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y11481 [0,1,1,0,0,0|0,0,2]=4 155 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,1,1,0,0,0|1,0,1]=4 156 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,1,1,0,0,0|1,0,1]=4 157 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,1,1,0,0,0|0,0,2]=4 158 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,1,1,0,0,0|0,0,2]=4 159 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,1,1,0,0,0|0,0,2]=4 160 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,1,1,0,0,0|0,0,2]=4 161 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,1,1,0,0,0|0,0,2]=4 162 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,1,1,0,0,0|1,0,1]=4 163 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,1,1,0,0,0|0,0,2]=4 164 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,1,1,0,0,0|0,0,2]=4 165 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,1,1,0,0,0|0,0,2]=4 166 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1Cl 95972 [0,1,1,0,0,0|1,0,0]=3 167 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1F 95993 [0,1,1,0,0,0|1,0,0]=3 168 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl C78035 [0,1,1,0,0,0|1,0,0]=3 169 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 75498 [0,1,1,0,0,0|1,0,0]=3 170 B13R1.164 O=C(O)\C=C\C1=C(O)C=C(O)C=C1 A12691 [0,1,1,0,0,0|1,0,0]=3 171 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,1,1,0,0,0|0,0,0]=2 172 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 D75515 [1,1,0,0,0,0|0,0,0]=2 173 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 H10981 [1,1,0,0,0,0|1,0,1]=4 174 B13R2.43 CCC1=CC2=C(C=CC(N)=C2)N1 96066 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.43 NCC1=CC2=C(C=CC(F)=C2)N1 D73721 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)O1 E71165 [1,1,0,0,0,0|1,0,0]=3 177 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)S1 F13894 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)O1 98428 [1,1,0,0,0,0|1,0,0]=3 179 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)S1 98425 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=N2)N1 57478 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)N1 28115 [1,1,0,0,0,0|0,0,0]=2 182 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)O1 98431 [1,1,0,0,0,0|1,0,0]=3 183 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)S1 98413 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.43 O=CC1=CN2C=C(F)C=CC2=N1 W13827 [1,1,0,0,0,0|1,0,1]=4 185 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)N1 C75511 [1,1,0,0,0,0|0,0,1]=3 186 B13R2.43 OCC1=CC2=C(C=C(F)C=C2)O1 98427 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.43 OCC1=CC2=C(C=C(F)C=C2)S1 98424 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 D72535 [1,1,0,0,0,0|1,0,1]=4 189 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)O1 AC5691 [1,1,0,0,0,0|1,0,1]=4 190 B13R2.43 OCC1=CC2=C(C=CC(F)=C2)O1 98430 [1,1,0,0,0,0|1,0,1]=4 191 B13R2.43 OCC1=CC2=CC(F)=CN=C2N1 56666 [1,1,0,0,0,0|1,0,1]=4 192 B13R2.43 OCC1=NC2=C(C=CC(I)=C2)N1 AC5111 [1,1,0,0,0,0|1,0,1]=4 193 B13R2.43 OCC1=NC2=C(C=CC(O)=C2)N1 AC7109 [1,1,0,0,0,0|1,0,1]=4 194 B13R2.45 CC1=C(CO)OC2=C1C=CC=C2 AC6351 [1,1,0,0,0,0|1,0,1]=4 195 B13R2.45 CN1C(C=O)=NC2=C1C=NC=C2 F50996 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [1,1,0,0,0,0|0,0,0]=2 197 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 D76690 [1,1,0,0,0,0|0,0,0]=2 199 B13R2.54 CC1=CC=CC2=C1NC(C=O)=C2 71616 [1,1,0,0,0,0|0,0,0]=2 200 B13R2.54 CCC1=CC2=CC=CC(C)=C2N1 S10153 [1,1,0,0,0,0|1,0,1]=4 201 B13R2.54 O=CC1=CC2=C(F)C=CC=C2O1 98437 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.54 O=CC1=CC2=CC=CC(Br)=C2O1 E71222 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.54 O=CC1=CC2=CC=CC(Br)=C2S1 98411 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.54 O=CC1=CC2=CC=CC(F)=C2N1 O11653 [1,1,0,0,0,0|0,0,0]=2 205 B13R2.54 O=CC1=CC2=CC=CC(F)=C2O1 98417 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.54 O=CC1=CN2C(F)=CC=CC2=N1 50629 [1,1,0,0,0,0|1,0,1]=4 207 B13R2.54 O=CC1=NC2=CC=CC(Br)=C2O1 D87526 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.54 OCC1=CC2=C(Br)C=CC=C2O1 C15111 [1,1,0,0,0,0|1,0,1]=4 209 B13R2.54 OCC1=CC2=C(Cl)C=CC=C2S1 72200 [1,1,0,0,0,0|1,0,1]=4 210 B13R2.54 OCC1=CC2=C(F)C=CC=C2O1 98436 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.54 OCC1=CC2=CC=CC(Br)=C2O1 E71221 [1,1,0,0,0,0|1,0,1]=4 212 B13R2.54 OCC1=CC2=CC=CC(Cl)=C2S1 72295 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.54 OCC1=CC2=CC=CC(F)=C2O1 98416 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.54 OCC1=NC2=C(Br)C=CC=C2N1 AC3360 [1,1,0,0,0,0|1,0,1]=4 215 B13R2.54 OCC1=NC2=C(Cl)C=CC=C2N1 AC3552 [1,1,0,0,0,0|1,0,1]=4 216 B13R2.54 OCC1=NC2=C(F)C=CC=C2N1 AC6688 [1,1,0,0,0,0|1,0,1]=4 217 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 AT11850 [0,1,0,0,1,0|1,0,0]=3 218 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)O2)N1 L10082 [0,1,0,0,1,0|1,0,0]=3 219 B13R2.400 O=C(O)C1=CC2=C(N1)SC(Br)=C2 C90266 [0,1,0,0,1,0|1,0,0]=3 220 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 28507 [0,1,0,0,1,0|1,0,0]=3 221 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 C90708 [0,1,0,0,1,0|1,0,0]=3 222 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 AT18492 [0,1,0,0,1,0|1,0,0]=3 223 B13R2.2334 O=C(O)C1=C(Br)C2=C(N1)SC=C2 L10110 [0,1,0,0,1,0|1,0,0]=3 224 B13R2.3678 O=C(O)C1=CC2=C(N1)SC=C2Br S11383 [0,1,0,0,1,0|1,0,0]=3 225 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(F)C=C2 AT11819 [0,1,0,0,1,0|0,0,2]=4 226 B15R2.629 O=C(O)CN1SC2=C(C=CC=C2)C1=O F20214 [0,1,0,0,0,1|2,0,0]=4 227 B15R2.1569 COC(=O)CC1=NC2=C(C=CC=C2)S1 69166 [0,1,0,0,0,1|1,0,1]=4 228 B15R2.7252 O=C(O)CC1=CN2C=C(Cl)C=CC2=N1 96168 [0,1,0,0,0,1|1,0,1]=4 229 B15R2.7252 O=C(O)CN1C=C2C=CC(Br)=CC2=N1 96155 [0,1,0,0,0,1|1,0,1]=4 230 B15R2.7252 O=C(O)CN1C=C2C=CC(Cl)=CC2=N1 96157 [0,1,0,0,0,1|1,0,1]=4 231 B15R2.627 NC(=O)C1=C(N)C2=CC=CC=C2N=N1 97746 [0,1,0,0,0,1|1,0,1]=4 232 B15R2.627 NC1=C(C(=O)O)C=CC2=NC=CC=C21 D96818 [0,1,0,0,0,1|2,0,0]=4 233 B15R2.627 NC1=C(C(=O)O)N=NC2=CC=CC=C21 97747 [0,1,0,0,0,1|0,0,1]=3 234 B15R2.627 O=C(O)C1=C(Cl)C2=CC=NC=C2C=C1 E70448 [0,1,0,0,0,1|2,0,0]=4 235 B15R2.627 O=C(O)C1=CSC2=NC=CC=C2C1=O D85373 [0,1,0,0,0,1|2,0,0]=4 236 B15R2.984 CC(=O)C1=CC2=CC=CC=C2N=C1Cl AT15998 [0,1,0,0,0,1|1,0,1]=4 237 B15R2.984 O=C(O)C1=CC2=CC=CN=C2C=C1F 95704 [0,1,0,0,0,1|2,0,0]=4 238 B15R2.984 O=C(O)C1=NC2=CC=CN=C2NC1=O D85379 [0,1,0,0,0,1|1,0,1]=4 239 B15R2.984 O=C(O)C1=NC2=NC=CC=C2C=C1Br C16630 [0,1,0,0,0,1|1,0,1]=4 240 B15R2.984 O=C(O)[C@@H]1CC2=C(C=CC=C2)NC1=O 97749 [0,1,0,0,0,1|0,0,2]=4 241 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 C73652 [0,1,0,0,0,1|0,0,2]=4 242 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69680 [0,1,0,0,0,1|0,0,2]=4 243 B15R2.1601 COC(=O)[C@@H]1CNC2=C(C=CC=C2)N1 C92861 [0,1,0,0,0,1|0,0,2]=4 244 B15R2.7174 CC(=O)C1=CC=C2C=CC(Br)=CC2=N1 F50486 [0,1,0,0,0,1|1,0,1]=4 245 B15R2.7174 CC1=CC=C2N=CC(C(=O)O)=CC2=C1 69450 [0,1,0,0,0,1|0,0,1]=3 246 B15R2.7174 O=C(O)C1=CC=C2C=CC(Cl)=CC2=N1 76407 [0,1,0,0,0,1|0,0,1]=3 247 B15R2.7174 O=C(O)C1=CN=C2C=CC(I)=CC2=C1 69447 [0,1,0,0,0,1|0,0,1]=3 248 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(Cl)=C2)CN1 84981 [0,1,0,0,0,1|0,0,2]=4 249 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=NC2=C1 69430 [0,1,0,0,0,1|0,0,1]=3 250 B15R2.7180 CC1=CN=C2C=C(C(=O)O)C=CC2=C1 K10057 [0,1,0,0,0,1|2,0,0]=4 251 B15R2.7180 NC(=O)C1=CN=C2C=C(Br)C=CC2=C1 K10030 [0,1,0,0,0,1|1,0,1]=4 252 B15R2.7180 NC1=CC=C2N=C(C(=O)O)C=CC2=C1 80341 [0,1,0,0,0,1|0,0,1]=3 253 B15R2.7180 O=C(O)C1=CC2=NC=C(O)C=C2N=C1 E70453 [0,1,0,0,0,1|1,0,1]=4 254 B15R2.7180 O=C(O)C1=CC=C2C=C(I)C=CC2=C1 D78655 [0,1,0,0,0,1|1,0,0]=3 255 B15R2.7180 O=C(O)C1=CN=C2C=C(I)C=CC2=C1 69427 [0,1,0,0,0,1|0,0,1]=3 256 B15R2.13598 CC1=C2N=CC(C(=O)O)=CC2=CC=C1 69461 [0,1,0,0,0,1|0,0,1]=3 257 B15R2.13598 NC(=O)C1=CN=C2C(F)=CC=CC2=C1 S11552 [0,1,0,0,0,1|1,0,1]=4 258 B15R2.13598 NC1=C2C=CC(C(=O)O)=NC2=CC=C1 82806 [0,1,0,0,0,1|0,0,1]=3 259 B15R2.13598 O=C(O)C1=CC2=NC=CC(O)=C2C=C1 27538 [0,1,0,0,0,1|2,0,0]=4 260 B15R2.13598 O=C(O)C1=CC=C2C(=O)C=CC=C2N1 P15426 [0,1,0,0,0,1|0,0,0]=2 261 B15R2.13598 O=C(O)[C@@H]1CCC2=C(Cl)C=CC=C2N1 88975 [0,1,0,0,0,1|0,0,2]=4 262 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 AC5673 [0,1,0,0,0,1|1,0,0]=3 263 B15R2.14951 O=C(O)C1=CC2=CN=CC=C2C(O)=C1 D87206 [0,1,0,0,0,1|2,0,0]=4 264 B15R2.61353 NC1=C2C=C(C(=O)O)C=NC2=CC=C1 80387 [0,1,0,0,0,1|0,0,1]=3 265 B15R2.61353 NC1=C2N=C(C(=O)O)C=CC2=CC=C1 AT13266 [0,1,0,0,0,1|0,0,1]=3 266 B15R2.61353 O=C(O)C1=CN=C2C=NC=C(Br)C2=C1 E70454 [0,1,0,0,0,1|1,0,1]=4 267 B15R2.1592 COC(=O)C1=C(C)C2=C(C=CC=C2)O1 84765 [0,2,0,0,0,0|1,0,0]=3 268 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)N1 AT15691 [0,2,0,0,0,0|0,0,0]=2 269 B15R2.1592 COC(=O)C1=C(I)C2=C(N=CC=C2)S1 F30467 [0,2,0,0,0,0|2,0,0]=4 270 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)O1 AC6270 [0,2,0,0,0,0|1,0,0]=3 271 B15R2.4190 CCC1=C(C(C)=O)OC2=C1C=CC=C2 D73266 [0,2,0,0,0,0|2,0,0]=4 272 B15R2.4190 CCN1C(C(=O)O)=CC2=C1C=CC=C2 AT23476 [0,2,0,0,0,0|0,0,0]=2 273 B15R2.4190 COC1=C(C(=O)O)OC2=C1C=CC=C2 75862 [0,2,0,0,0,0|1,0,0]=3 274 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(F)C=C2 87158 [0,2,0,0,0,0|0,0,0]=2 275 B15R2.7203 CC1=CC2=C(C=C1)OC(C(=O)O)=C2C F20887 [0,2,0,0,0,0|1,0,0]=3 276 B15R2.7203 CN1C(B(O)O)=CC2=C1C=C(Cl)C=C2 I10035 [0,2,0,0,0,0|1,0,1]=4 277 B15R2.7203 CN1C(C(=O)O)=CC2=C1N=C(N)N=C2 P14415 [0,2,0,0,0,0|2,0,0]=4 278 B15R2.7203 NC1=C(C(=O)O)N=C2C=CC(Br)=CN21 58241 [0,2,0,0,0,0|1,0,1]=4 279 B15R2.7203 NC1=C(C(=O)O)N=C2C=CC(Cl)=CN21 58238 [0,2,0,0,0,0|1,0,1]=4 280 B15R2.7203 NC1=C(C(=O)O)N=C2C=CC(F)=CN21 58236 [0,2,0,0,0,0|1,0,1]=4 281 B15R2.7203 NC1=C(C(=O)O)SC2=C1N=C(Br)C=C2 91413 [0,2,0,0,0,0|2,0,0]=4 282 B15R2.7203 NC1=C(C(=O)O)SC2=NC=C(Br)C=C21 91409 [0,2,0,0,0,0|2,0,0]=4 283 B15R2.13463 CC1=C(C(=O)O)N=C2C(Cl)=CC=CN21 D88122 [0,2,0,0,0,0|1,0,1]=4 284 B15R2.13463 CC1=C(C(=O)O)NC2=C(Cl)C=CC=C12 A12125 [0,2,0,0,0,0|0,0,0]=2 285 B15R2.13463 CN1C(C(=O)O)=CC2=C(F)C=CC=C21 C71462 [0,2,0,0,0,0|0,0,0]=2 286 B15R2.13629 CC1=C(C(=O)O)N=C2C=CC=C(Cl)N21 D85378 [0,2,0,0,0,0|1,0,1]=4 287 B15R2.14758 CC1=C(C(=O)O)N=C2C=C(Cl)C=CN21 D88121 [0,2,0,0,0,0|1,0,1]=4 288 B15R2.14758 CC1=C(C(=O)O)OC2=C1C=CC(Br)=C2 98467 [0,2,0,0,0,0|1,0,0]=3 289 B15R2.14758 CC1=NC2=C(C=C1)C(Br)=C(C(=O)O)S2 91046 [0,2,0,0,0,0|2,0,0]=4 290 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 AT22462 [0,2,0,0,0,0|2,0,0]=4 291 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)O1 87396 [0,2,0,0,0,0|2,0,0]=4 292 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)S1 57187 [0,2,0,0,0,0|2,0,0]=4 293 B15R2.1356 N#CCC(=O)C1=CC2=C(C=CC=C2)O1 E70467 [0,2,0,0,0,0|2,0,0]=4 294 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)O1 87463 [0,2,0,0,0,0|1,0,0]=3 295 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)O1 98426 [0,2,0,0,0,0|1,0,0]=3 296 B15R2.1590 COC(=O)C1=CC2=C(C=CC(C)=C2)O1 AC6879 [0,2,0,0,0,0|1,0,0]=3 297 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)S1 F14204 [0,2,0,0,0,0|1,0,0]=3 298 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 AC4642 [0,2,0,0,0,0|1,0,0]=3 299 B15R2.1590 COC(=O)C1=CC2=C(N=C(Br)C=C2)N1 V10161 [0,2,0,0,0,0|1,0,0]=3 300 B15R2.1590 COC(=O)C1=CC2=C(N=C(N)N=C2)N1 P14414 [0,2,0,0,0,0|2,0,0]=4 301 B15R2.1590 COC(=O)C1=CN2C=CC(Br)=CC2=N1 H10982 [0,2,0,0,0,0|1,0,1]=4 302 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)N1 AT11080 [0,2,0,0,0,0|1,0,0]=3 303 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)S1 D71971 [0,2,0,0,0,0|1,0,1]=4 304 B15R2.1590 COC(=O)C1=NC2=C(C=CC(C)=C2)S1 AT10318 [0,2,0,0,0,0|1,0,1]=4 305 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)N1 AT11078 [0,2,0,0,0,0|1,0,0]=3 306 B15R2.1590 COC(=O)C1=NC2=C(C=CC(F)=C2)N1 AT11076 [0,2,0,0,0,0|1,0,0]=3 307 B15R2.1590 COC(=O)C1=NC2=C(C=CC(F)=C2)O1 F14205 [0,2,0,0,0,0|1,0,1]=4 308 B15R2.1598 COC(=O)C1=CC2=C(C=NC=C2F)S1 57197 [0,2,0,0,0,0|2,0,0]=4 309 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2O1 98432 [0,2,0,0,0,0|1,0,0]=3 310 B15R2.1598 COC(=O)C1=CC2=C(N=CC=C2N)N1 P20336 [0,2,0,0,0,0|1,0,0]=3 311 B15R2.1598 COC(=O)C1=CC2=C(N=CC=C2O)N1 94928 [0,2,0,0,0,0|1,0,0]=3 312 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2O1 66269 [0,2,0,0,0,0|1,0,0]=3 313 B15R2.1598 COC(=O)C1=CC2=CC=CC(Cl)=C2N1 N16806 [0,2,0,0,0,0|0,0,0]=2 314 B15R2.1598 COC(=O)C1=CC2=CC=CC(N)=C2S1 O11972 [0,2,0,0,0,0|1,0,0]=3 315 B15R2.1598 COC(=O)C1=NC2=CC=CC(C)=C2S1 72879 [0,2,0,0,0,0|1,0,1]=4 316 B15R2.7250 CC1=CC2=C(C=C1)NC(S(=O)(=O)O)=N2 71267 [0,2,0,0,0,0|2,0,0]=4 317 B15R2.1102 CC(=O)C1=NC2=C(C=C(C)C(C)=C2)N1 F17899 [0,2,0,0,0,0|2,0,0]=4 318 B15R2.1102 CC1=CC2=C(C=C1C)OC(C(=O)O)=C2 95741 [0,2,0,0,0,0|1,0,0]=3 319 B15R2.4834 CCC1=CC2=C(C=C1)NC(C(=O)O)=C2 S12053 [0,2,0,0,0,0|0,0,0]=2 320 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 95740 [0,2,0,0,0,0|1,0,0]=3 321 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(C)=O)O2 D73246 [0,2,0,0,0,0|2,0,0]=4 322 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=N2 73367 [0,2,0,0,0,0|1,0,0]=3 323 B15R2.4834 COC1=CC2=C(C=C1)OC(C(C)=O)=C2 77501 [0,2,0,0,0,0|2,0,0]=4 324 B15R2.4834 N#CC1=CC2=C(C=C1)C=C(B(O)O)N2 N12657 [0,2,0,0,0,0|1,0,1]=4 325 B15R2.4834 N#CC1=CC2=C(C=C1)NC(B(O)O)=C2 A50906 [0,2,0,0,0,0|1,0,1]=4 326 B15R2.4834 N#CC1=CN2C=C(C(=O)O)N=C2C=C1 68924 [0,2,0,0,0,0|1,0,1]=4 327 B15R2.7254 CC1=C(Br)C=CC2=C1C=C(C(=O)O)N2 P16119 [0,2,0,0,0,0|0,0,0]=2 328 B15R2.7254 CC1=C(Br)C=CC2=NC(C(=O)O)=CN21 AC2650 [0,2,0,0,0,0|1,0,1]=4 329 B15R2.7254 O=C(O)C1=CC2=C(C=CC(Br)=C2Cl)N1 N13283 [0,2,0,0,0,0|0,0,0]=2 330 B15R2.7254 O=C(O)C1=CC2=C(C=CC(F)=C2Br)N1 AT10572 [0,2,0,0,0,0|0,0,0]=2 331 B15R2.15633 CC1=C2NC(C(=O)O)=CC2=CC(Br)=C1 70072 [0,2,0,0,0,0|0,0,0]=2 332 B15R2.15633 CC1=CC(Br)=CN2C=C(C(=O)O)N=C12 AC7014 [0,2,0,0,0,0|1,0,1]=4 333 B15R2.15633 NC1=C2NC(C(=O)O)=CC2=CC(Cl)=C1 68830 [0,2,0,0,0,0|0,0,0]=2 334 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(Br)C=C2N1 91205 [0,2,0,0,0,0|0,0,0]=2 335 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2N1 AT24678 [0,2,0,0,0,0|0,0,0]=2 336 B15R2.15633 O=C(O)C1=CC2=C(N1)C(O)=NC(O)=N2 E70054 [0,2,0,0,0,0|2,0,0]=4 337 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(F)=C2N1 C91539 [0,2,0,0,0,0|0,0,0]=2 338 B15R2.15633 O=C(O)C1=CC2=CC(F)=CC(Br)=C2O1 66272 [0,2,0,0,0,0|1,0,0]=3 339 B15R2.15633 O=C(O)C1=CC2=CC(F)=CC(F)=C2N1 AT24674 [0,2,0,0,0,0|0,0,0]=2 340 B15R2.15633 O=C(O)C1=CC2=CC(F)=CC(F)=C2O1 98439 [0,2,0,0,0,0|1,0,0]=3 341 B15R2.15633 O=C(O)C1=NN2C=C(Br)C=C(F)C2=C1 W16550 [0,2,0,0,0,0|1,0,1]=4 342 B15R2.15633 O=C(O)C1=NN2C=C(F)C=C(Br)C2=C1 W16551 [0,2,0,0,0,0|1,0,1]=4 343 B15R2.14566 CC1=C2NC(C(=O)O)=CC2=C(F)C=C1 E72014 [0,2,0,0,0,0|0,0,0]=2 344 B15R2.14566 O=C(O)C1=CC2=C(F)C=CC(F)=C2N1 AT24670 [0,2,0,0,0,0|0,0,0]=2 345 B15R2.20824 COC1=C2SC(C(=O)O)=CC2=CC=C1 O11659 [0,2,0,0,0,0|1,0,0]=3 346 B15R2.20824 COC1=C2SC(C(=O)O)=CC2=NC=C1 E72749 [0,2,0,0,0,0|2,0,0]=4 347 B15R2.20824 COC1=C2SC(C(=O)O)=NC2=CC=C1 F13955 [0,2,0,0,0,0|1,0,1]=4 348 B15R2.20824 COC1=CC=CC2=C1C=C(C(C)=O)O2 D73258 [0,2,0,0,0,0|2,0,0]=4 349 B15R2.20824 COC1=NC=CC2=C1NC(C(=O)O)=C2 F52966 [0,2,0,0,0,0|1,0,0]=3 350 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,0,1,1,0,0|2,0,0]=4 351 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,0,1,1,0,0|2,0,0]=4 352 B13R2.5179 NC1=C2C=CC(Cl)=NC2=CC=C1 O10759 [0,0,1,1,0,0|2,0,0]=4 353 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [0,0,1,1,0,0|1,0,0]=3 354 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 W10345 [0,0,1,1,0,0|2,0,0]=4 355 B13R2.72 O=C(Cl)C1=CN=C2C=CC=CN12 F17999 [0,0,1,1,0,0|2,0,0]=4 356 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 F30599 [0,0,1,1,0,0|0,0,0]=2 357 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 30091 [0,0,1,1,0,0|2,0,0]=4 358 B13R2.72 O=C(O)C1=CC=C2C=CC=CN21 58576 [0,0,1,1,0,0|0,0,0]=2 359 B13R2.72 O=C(O)[C@@H]1C=CC2=C1C=CC=C2 F15123 [0,0,1,1,0,0|1,0,1]=4 360 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 D88113 [0,0,1,1,0,0|0,0,2]=4 361 B13R2.430 O=C(O)C1=CC2=C(C=N1)SC=C2 D86219 [0,0,1,1,0,0|1,0,1]=4 362 B13R2.430 O=C(O)C1=NC2=C(C=C1)SC=C2 70974 [0,0,1,1,0,0|1,0,1]=4 363 B13R2.5569 CC(=O)C1=CC=CC2=NC=CN12 W13366 [0,0,1,1,0,0|2,0,0]=4 364 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 P11268 [0,0,1,1,0,0|1,0,1]=4 365 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CO2 C77574 [0,0,1,1,0,0|1,0,1]=4 366 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,0,1,0,1,0|1,0,1]=4 367 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,0,1,0,1,0|1,0,1]=4 368 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,0,1,0,1,0|1,0,1]=4 369 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,0,1,0,1,0|1,0,1]=4 370 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,0,1,0,1,0|1,0,1]=4 371 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,0,1,0,0,1|1,0,0]=3 372 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O C16268 [0,0,1,0,0,1|0,0,2]=4 373 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [0,0,1,0,0,1|0,0,2]=4 374 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 W15239 [0,0,1,0,0,1|1,0,1]=4 375 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 W16594 [0,0,1,0,0,1|1,0,1]=4 376 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 C11682 [0,0,1,0,0,1|1,0,0]=3 377 B15R2.1660 O=C(O)CCC1=CC2=C(C=CC=C2)O1 W15989 [0,0,0,0,0,2|1,0,0]=3 378 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 F17876 [0,0,0,0,0,2|1,0,1]=4 379 B15R2.1660 O=C(O)COC1=NC2=C(C=CC=C2)S1 O10498 [0,0,0,0,0,2|1,0,1]=4 380 B15R2.1668 O=C(O)CC1=CC2=CC=NC=C2C=C1 20255 [0,0,0,0,0,2|2,0,0]=4 381 B15R2.1668 O=C(O)CC1=NC2=CC=CC=C2C=C1 A11248 [0,0,0,0,0,2|0,0,1]=3 382 B15R2.1668 O=C(O)CC1=NC2=CC=CC=C2C=C1 I10818 [0,0,0,0,0,2|0,0,1]=3 383 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 O11837 [0,0,0,0,0,2|0,0,2]=4 384 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 O12047 [0,0,0,0,0,2|0,0,2]=4