0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A17997 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 A7495 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 N=C(N)C1=CC2=CC=CC=C2N1 I16876 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 B8234 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B8128 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 I0452 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 I15232 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 B18340 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 B16708 [0,0,0,0,0,0|1,0,1]=2 9 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 I7021 [0,0,0,0,0,0|0,0,2]=2 10 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 I4785 [0,0,0,0,0,0|0,0,2]=2 11 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 I7230 [0,0,0,0,0,0|0,0,2]=2 12 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B3786 [0,0,0,0,0,0|2,0,1]=3 13 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 I15653 [1,0,0,0,0,0|1,0,1]=3 14 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 I0657 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.32 O=CC1=CN2C=CC=CC2=N1 I15255 [1,0,0,0,0,0|1,0,1]=3 16 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B7588 [1,0,0,0,0,0|1,0,1]=3 17 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B7651 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B7680 [1,0,0,0,0,0|1,0,2]=4 19 B12R2.32 ON=C1CC2=CC=CC=C2C1 I2106 [1,0,0,0,0,0|2,0,1]=4 20 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 M14783 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 C10337 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 C9577 [0,1,0,0,0,0|1,0,0]=2 24 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 A13086 [0,1,0,0,0,0|1,0,2]=4 25 B14R2.972 CNC(C)C1=CC2=C(C=CC=C2)N1 M11339 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 I7229 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [0,1,0,0,0,0|0,0,0]=1 29 B14R2.4529 N=C(N)C1=CC2=CC(Cl)=CC=C2N1 C16842 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=N2 A15310 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,0|0,0,0]=1 32 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,0|0,0,0]=1 33 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,0|0,0,0]=1 34 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,0|0,0,0]=1 35 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C3244 [0,1,0,0,0,0|0,0,0]=1 36 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C8872 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [0,1,0,0,0,0|0,0,0]=1 38 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 B1098 [0,1,0,0,0,0|0,0,0]=1 39 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B10682 [0,1,0,0,0,0|1,0,1]=3 40 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2S1 C17837 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 C16715 [0,1,0,0,0,0|1,0,0]=2 42 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 M8027 [0,1,0,0,0,0|0,0,0]=1 43 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 M11953 [0,1,0,0,0,0|0,0,0]=1 44 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F8850 [0,1,0,0,0,0|1,0,0]=2 45 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 C11951 [0,1,0,0,0,0|0,0,0]=1 46 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F11947 [0,1,0,0,0,0|0,0,0]=1 47 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H14876 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,0,1,0,0,0|1,0,0]=2 49 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [0,0,1,0,0,0|1,0,2]=4 51 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,0,1,0,0,0|0,0,2]=3 52 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [0,0,1,0,0,0|1,0,2]=4 53 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [0,0,1,0,0,0|1,0,2]=4 54 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [0,0,1,0,0,0|1,0,2]=4 55 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,0,1,0,0,0|0,0,2]=3 56 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [0,0,1,0,0,0|1,0,2]=4 57 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [0,0,1,0,0,0|1,0,2]=4 58 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [0,0,1,0,0,0|1,0,2]=4 59 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,0,1,0,0,0|1,0,2]=4 60 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,0,1,0,0,0|1,0,2]=4 61 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,0,1,0,0,0|1,0,2]=4 62 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [0,0,1,0,0,0|1,0,0]=2 63 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 A14657 [0,0,1,0,0,0|1,0,0]=2 64 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 C9064 [0,0,1,0,0,0|2,0,0]=3 65 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [0,0,1,0,0,0|1,0,2]=4 66 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [0,0,1,0,0,0|1,0,2]=4 67 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [0,0,1,0,0,0|1,0,0]=2 68 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [0,0,1,0,0,0|1,0,0]=2 69 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [0,0,1,0,0,0|1,0,0]=2 70 B14R2.768 N=C(N)NC1=NC2=C(C=CC=C2)N1 G8031 [0,0,0,0,0,1|3,0,0]=4 71 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 A2208 [0,0,0,0,0,1|2,0,0]=3 72 B14R2.781 N=C(N)C1=CC2=CC=CC=C2C=C1 N13880 [0,0,0,0,0,1|3,0,0]=4 73 B14R2.781 N=C(N)C1=CC2=CC=CC=C2C=N1 I13839 [0,0,0,0,0,1|2,0,1]=4 74 B14R2.781 N=C(N)C1=CC2=CC=CC=C2N=C1 Q13929 [0,0,0,0,0,1|2,0,1]=4 75 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 T11758 [0,0,0,0,0,1|1,0,2]=4 76 B14R2.781 O=C(Cl)C1=CC=C2C=CC=CC2=C1 N8626 [0,0,0,0,0,1|2,0,0]=3 77 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 N0909 [0,0,0,0,0,1|1,0,0]=2 78 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q7944 [0,0,0,0,0,1|2,0,0]=3 79 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 N7984 [0,0,0,0,0,1|1,0,1]=3 80 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=N1 N7985 [0,0,0,0,0,1|1,0,1]=3 81 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,0,0,1|0,0,1]=2 82 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,0,0,1|0,0,1]=2 83 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 Q4977 [0,0,0,0,0,1|0,0,1]=2 84 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 T9613 [0,0,0,0,0,1|0,0,2]=3 85 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 B3390 [0,0,0,0,0,1|1,0,2]=4 86 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 T3753 [0,0,0,0,0,1|0,0,2]=3 87 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T8095 [0,0,0,0,0,1|0,0,2]=3 88 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 T7288 [0,0,0,0,0,1|0,0,2]=3 89 B14R2.781 O=[N+]([O-])C1=CC2=C(C=CC=C2)N=C1 N7986 [0,0,0,0,0,1|1,0,2]=4 90 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)C=C1 N5367 [0,0,0,0,0,1|2,0,1]=4 91 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [1,0,1,0,0,0|1,0,0]=3 92 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [1,0,1,0,0,0|1,0,0]=3 93 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 P4462 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,1,0,0,0|0,0,2]=4 95 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,1,0,0,0|0,0,1]=3 96 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,1,0,0,0|1,0,1]=4 97 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [1,0,1,0,0,0|1,0,0]=3 99 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [1,0,1,0,0,0|0,0,1]=3 100 B11R1.48 CC1=C(C=O)NC(C(=O)O)=C1 F15335 [1,0,1,0,0,0|1,0,1]=4 101 B11R2.10 BrC1=NC2=CC=CC=C2N1 B14422 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M14381 [2,0,0,0,0,0|1,0,1]=4 103 B11R2.10 ClC1=NC2=CC=CC=C2N1 C3376 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [2,0,0,0,0,0|1,0,1]=4 105 B11R2.10 NC1=CC2=C(C=CC=C2)N1 A11341 [2,0,0,0,0,0|1,0,0]=3 106 B11R2.10 NC1=NC2=C(C=CC=C2)N1 A3457 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [2,0,0,0,0,0|0,0,1]=3 108 B11R2.10 O=C1CC2=CN=CC=C2N1 A12570 [2,0,0,0,0,0|1,0,1]=4 109 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.10 O=C1NC2=CC=CC=C2N1 D11101 [2,0,0,0,0,0|1,0,0]=3 112 B11R2.10 O=C1NC2=CC=CC=C2O1 B0351 [2,0,0,0,0,0|1,0,0]=3 113 B11R2.10 O=C1NC2=CC=CC=C2S1 B13424 [2,0,0,0,0,0|1,0,0]=3 114 B11R2.10 SC1=NC2=CC=CC=C2N1 M0641 [2,0,0,0,0,0|1,1,0]=4 115 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [0,1,1,0,0,0|0,0,2]=4 116 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [0,1,1,0,0,0|0,0,2]=4 117 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [0,1,1,0,0,0|0,0,2]=4 118 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [0,1,1,0,0,0|0,0,2]=4 119 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [0,1,1,0,0,0|0,0,2]=4 120 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [0,1,1,0,0,0|0,0,2]=4 121 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [0,1,1,0,0,0|0,0,2]=4 122 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [0,1,1,0,0,0|0,0,2]=4 123 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [0,1,1,0,0,0|0,0,2]=4 124 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [0,1,1,0,0,0|0,0,2]=4 125 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [0,1,1,0,0,0|0,0,2]=4 126 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [0,1,1,0,0,0|0,0,2]=4 127 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,1,0,0,0|0,0,2]=4 128 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,1,0,0,0|0,0,2]=4 129 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O T19073 [0,1,1,0,0,0|0,0,2]=4 130 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O F8327 [0,1,1,0,0,0|0,0,2]=4 131 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O F8326 [0,1,1,0,0,0|0,0,2]=4 132 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O A12805 [0,1,1,0,0,0|0,0,2]=4 133 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O F8325 [0,1,1,0,0,0|0,0,2]=4 134 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O F8324 [0,1,1,0,0,0|0,0,2]=4 135 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O C7987 [0,1,1,0,0,0|1,0,1]=4 136 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O M8177 [0,1,1,0,0,0|0,0,2]=4 137 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O M8176 [0,1,1,0,0,0|0,0,2]=4 138 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 F8060 [0,1,1,0,0,0|1,0,0]=3 139 B13R1.150 O=C(O)\C=C\C1=CC=CC(F)=C1F D8360 [0,1,1,0,0,0|1,0,0]=3 140 B13R1.164 O=C(O)\C=C\C1=C(Br)C=C(F)C=C1 B10841 [0,1,1,0,0,0|1,0,0]=3 141 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 D8355 [0,1,1,0,0,0|1,0,0]=3 142 B13R1.164 O=C(O)\C=C\C1=CC=C(Br)C=C1F B3800 [0,1,1,0,0,0|1,0,0]=3 143 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1F C2694 [0,1,1,0,0,0|1,0,0]=3 144 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1Cl C5261 [0,1,1,0,0,0|1,0,0]=3 145 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1Cl C14739 [0,1,1,0,0,0|1,0,0]=3 146 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N M19131 [0,1,1,0,0,0|0,0,0]=2 147 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 B10840 [0,1,1,0,0,0|1,0,0]=3 148 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 D8356 [0,1,1,0,0,0|1,0,0]=3 149 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F C9052 [0,1,1,0,0,0|1,0,0]=3 150 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F D8357 [0,1,1,0,0,0|1,0,0]=3 151 B13R2.43 NC1=CC2=C(C=C1)NC(CO)=N2 A15445 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 M14941 [1,1,0,0,0,0|0,0,0]=2 153 B15R2.1569 COC(=O)NC1=NC2=CC=CC=C2N1 C0467 [0,1,0,0,0,1|1,0,0]=3 154 B15R2.627 O=C(O)C1=CN=C2C=CC=NC2=C1O H19178 [0,1,0,0,0,1|1,0,1]=4 155 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O C8598 [0,1,0,0,0,1|1,0,0]=3 156 B15R2.984 CC(=O)C1=CC2=C(C=CN=C2)NC1=O A8518 [0,1,0,0,0,1|2,0,0]=4 157 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 A8475 [0,1,0,0,0,1|1,0,0]=3 158 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)N=C1Cl C15768 [0,1,0,0,0,1|0,0,1]=3 159 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H4990 [0,1,0,0,0,1|1,0,0]=3 160 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O O14972 [0,1,0,0,0,1|0,0,0]=2 161 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 N8451 [0,1,0,0,0,1|2,0,0]=4 162 B15R2.1601 N\C(=N\O)C1=CC2=CC=CC=C2C=C1 H13798 [0,1,0,0,0,1|2,0,0]=4 163 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C9471 [0,1,0,0,0,1|1,0,0]=3 164 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(O)C=C2 H8514 [0,1,0,0,0,1|1,0,0]=3 165 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=C1 B2211 [0,1,0,0,0,1|1,0,0]=3 166 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=C1 B2211 [0,1,0,0,0,1|1,0,0]=3 167 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=C1 F11404 [0,1,0,0,0,1|1,0,0]=3 168 B15R2.7180 O=C(O)[C@@H]1CC2=CC=C(O)C=C2CN1 H12945 [0,1,0,0,0,1|0,0,2]=4 169 B15R2.7180 O=C1C=CC2=CC(C(=O)O)=CC=C2N1 Q5938 [0,1,0,0,0,1|2,0,0]=4 170 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 C8597 [0,1,0,0,0,1|1,0,0]=3 171 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Cl)=C1 C17459 [0,1,0,0,0,1|0,0,1]=3 172 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)N1 C15623 [0,2,0,0,0,0|0,0,0]=2 173 B15R2.1592 NNC(=O)C1=C(Cl)C2=C(C=CC=C2)S1 C10165 [0,2,0,0,0,0|2,0,0]=4 174 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 I1761 [0,2,0,0,0,0|0,0,0]=2 175 B15R2.1356 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)N1 I17976 [0,2,0,0,0,0|0,0,2]=4 176 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)N1 C14764 [0,2,0,0,0,0|0,0,0]=2 177 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)N1 F14827 [0,2,0,0,0,0|0,0,0]=2 178 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 F14828 [0,2,0,0,0,0|0,0,0]=2 179 B15R2.1590 COC(=O)C1=CC2=CC=C(C)C=C2N1 M12504 [0,2,0,0,0,0|0,0,0]=2 180 B15R2.1590 NNC(=O)C1=CC2=CC(F)=CC=C2N1 F14809 [0,2,0,0,0,0|1,0,0]=3 181 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2C)N1 M14961 [0,2,0,0,0,0|0,0,0]=2 182 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2Cl)N1 C14763 [0,2,0,0,0,0|0,0,0]=2 183 B15R2.1102 O=C(O)C1=CC2=CC(F)=C(F)C=C2N1 D1100 [0,2,0,0,0,0|0,0,0]=2 184 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M8640 [0,2,0,0,0,0|0,0,0]=2 185 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M8640 [0,2,0,0,0,0|0,0,0]=2 186 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 M8639 [0,2,0,0,0,0|0,0,0]=2 187 B15R2.7254 O=C(O)C1=CC2=C(C=CC(Cl)=C2Cl)N1 D14778 [0,2,0,0,0,0|0,0,0]=2 188 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(F)C=C2N1 D1099 [0,2,0,0,0,0|0,0,0]=2 189 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)N2 M17763 [0,2,0,0,0,0|0,0,0]=2 190 B13R2.33 O=C1C=CC2=CC=CC=C2CN1 D17473 [0,0,1,1,0,0|2,0,0]=4 191 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 A6859 [0,0,1,1,0,0|2,0,0]=4 192 B13R2.5179 O=C1C=CC2=C(O)C=CC=C2N1 H13258 [0,0,1,1,0,0|2,0,0]=4 193 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D6606 [0,0,1,1,0,0|2,0,0]=4 194 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 I1298 [0,0,1,1,0,0|2,0,0]=4 195 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 B8129 [0,0,1,1,0,0|2,0,0]=4 196 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 I7269 [0,0,1,1,0,0|1,0,1]=4 197 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I2613 [0,0,1,1,0,0|2,0,0]=4 198 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I3246 [0,0,1,1,0,0|2,0,0]=4 199 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 I2792 [0,0,1,1,0,0|2,0,0]=4 200 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 I2792 [0,0,1,1,0,0|2,0,0]=4 201 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CN2 I7509 [0,0,1,1,0,0|2,0,0]=4 202 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 I12304 [0,0,1,1,0,0|1,0,0]=3 203 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,0,1,0,1,0|0,0,0]=2 204 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,0,1,0,1,0|0,0,0]=2 205 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,0,1,0,1,0|0,0,2]=4 206 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 A14115 [0,0,1,0,1,0|1,0,1]=4 207 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,0,1,0,1,0|1,0,1]=4 208 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,0,1,0,1,0|0,0,1]=3 209 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,1,0,1,0|1,0,1]=4 210 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,1,0,1,0|1,0,1]=4 211 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,1,0|1,0,1]=4 212 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,1,0|1,0,1]=4 213 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,0,1,0,1,0|1,0,1]=4 214 B11R1.86 CC1=CC=CC=C1CC(=O)O T4259 [0,0,1,0,1,0|0,0,2]=4 215 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B3813 [0,0,1,0,1,0|1,0,1]=4 216 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 C7842 [0,0,1,0,1,0|1,0,1]=4 217 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 H1271 [0,0,1,0,1,0|1,0,1]=4 218 B11R1.86 O=C(O)CC1=CC=CC=C1F F1336 [0,0,1,0,1,0|1,0,1]=4 219 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,0,1,0,0,1|0,0,2]=4 220 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,0,1,0,0,1|0,0,2]=4 221 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [0,0,1,0,0,1|0,0,2]=4 222 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [0,0,1,0,0,1|0,0,2]=4 223 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [0,0,1,0,0,1|0,0,2]=4 224 B13R1.351 N[C@@H](\C=C\C1=CC=CC=C1)C(=O)O A12821 [0,0,1,0,0,1|0,0,1]=3 225 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [0,0,1,0,0,1|0,0,2]=4 226 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [0,0,1,0,0,1|0,0,2]=4 227 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [0,0,1,0,0,1|0,0,2]=4 228 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N0910 [1,0,0,0,0,1|1,0,0]=3 229 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 Q13412 [1,0,0,0,0,1|2,0,0]=4 230 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 Q7442 [1,0,0,0,0,1|0,0,1]=3 231 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N2206 [1,0,0,0,0,1|1,0,1]=4 232 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)N1 B9379 [0,0,0,0,0,2|1,0,0]=3 233 B15R2.1668 O=C(Cl)CC1=CC2=CC=CC=C2C=C1 N9219 [0,0,0,0,0,2|2,0,0]=4 234 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 Q14400 [0,0,0,0,0,2|2,0,0]=4 235 B15R2.1668 O=C(O)CC1=CC=C2C=CC=CC2=C1 N8447 [0,0,0,0,0,2|1,0,0]=3 236 B15R2.1668 O=C(O)CC1CC2=CC=CC=C2CN1 T15009 [0,0,0,0,0,2|0,0,2]=4 237 B15R2.1668 O=C(O)CC1CCC2=CC=CC=C2N1 T13158 [0,0,0,0,0,2|0,0,2]=4