0 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O B12062 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O C8256 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O F2550 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O I12041 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 CC1=CC2=CC=CC=C2N1C D1672 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 M5858 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.18 CN1C(=O)SC2=CC=CC=C21 M18425 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C2=CC=CC=C2N=C1N M17400 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.18 O=C1NC2=CC=CC=C2C1=O I0531 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.196 CN1C=CC2=C1C=CC=C2N A18078 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.202 CC1=C2N=C(Br)SC2=CC=C1 B1621 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.202 CC1=C2N=C(Cl)SC2=CC=C1 C1622 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 H17969 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M19383 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 A1619 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C12293 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F12294 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.202 O=C1CC2=C(O)C=CC=C2N1 H3671 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F11057 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 H1623 [1,0,0,0,0,0|2,0,0]=3 21 B14R2.8620 O=C1NC2=C(C1=O)C(Cl)=CC=C2Cl D9715 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O E8021 [0,1,0,0,0,0|1,0,1]=3 23 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 M12052 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 A15379 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 B10335 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.371 O=C(CBr)NC1=C(Cl)C=CC=C1 C10994 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.8045 CC1=C2NC(=O)NC(=O)C2=CC=C1 M18931 [0,0,0,0,0,1|1,0,1]=3 28 B14R2.8045 O=C1CC(=O)C2=CC=CC(F)=C2N1 F12543 [0,0,0,0,0,1|2,0,1]=4 29 B14R2.8045 O=C1NC(=O)C2=CC=CC(Br)=C2N1 B12099 [0,0,0,0,0,1|2,0,1]=4 30 B14R2.8045 O=C1NC(=O)C2=CC=CC(Cl)=C2N1 C12095 [0,0,0,0,0,1|2,0,1]=4 31 B14R2.8045 O=C1NC(=O)C2=CC=CC(F)=C2N1 F12092 [0,0,0,0,0,1|2,0,1]=4 32 B14R2.8045 O=C1NC(=O)C2=CC=CC(I)=C2N1 I12079 [0,0,0,0,0,1|2,0,1]=4 33 B14R2.8045 O=C1NC(=O)C2=CC=CC(I)=C2N1 I12079 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 B9675 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.159 CC1=C(C)C(C(=O)O)=CC=C1 D1268 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 C12384 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 A3783 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.159 CC1=C(N)C([N+](=O)[O-])=CC=C1 M5438 [1,0,1,0,0,0|0,0,2]=4 39 B11R1.159 CC1=CC=CC(C(=O)O)=C1F F5228 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O A12075 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O A12075 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl A1074 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.159 NC1=C(F)C=CC=C1C(=O)O A2549 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.159 NC1=C(F)C=CC=C1C(=O)O A2549 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.159 NC1=C(I)C=CC=C1C(=O)O A12065 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.159 NC1=C(I)C=CC=C1C(=O)O A12065 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.159 NC1=C(N)C(C(=O)O)=CC=C1 D12473 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 A1578 [1,0,1,0,0,0|1,0,0]=3 52 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 A0689 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 T13941 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 B10340 [1,0,1,0,0,0|1,1,0]=4 55 B11R1.157 NC(=S)NC1=CC(O)=CC=C1 H7774 [1,0,1,0,0,0|1,1,0]=4 56 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.86 CC1=CC=CC=C1CC(=N)N T13940 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.86 CC1=CC=CC=C1CC(=O)O T4259 [1,0,1,0,0,0|1,0,0]=3 59 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B10338 [1,0,1,0,0,0|1,1,0]=4 60 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B3813 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 C7842 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 H1271 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.86 O=C(O)CC1=CC=CC=C1F F1336 [1,0,1,0,0,0|2,0,0]=4 64 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [2,0,0,0,0,0|2,0,0]=4 66 B11R2.1 ON1N=NC2=C1C=CC=C2 H19007 [2,0,0,0,0,0|1,0,1]=4 67 B11R2.10 BrC1=NC2=CC=CC=C2N1 B14422 [2,0,0,0,0,0|1,0,1]=4 68 B11R2.10 ClC1=NC2=CC=CC=C2N1 C3376 [2,0,0,0,0,0|1,0,1]=4 69 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [2,0,0,0,0,0|1,0,1]=4 70 B11R2.10 NC1=CC2=C(C=CC=C2)N1 A11341 [2,0,0,0,0,0|2,0,0]=4 71 B11R2.10 NC1=NC2=C(C=CC=C2)N1 A3457 [2,0,0,0,0,0|1,0,1]=4 72 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [2,0,0,0,0,0|1,0,0]=3 73 B11R2.10 O=C1CC2=CN=CC=C2N1 A12570 [2,0,0,0,0,0|2,0,0]=4 74 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [2,0,0,0,0,0|2,0,0]=4 75 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.10 O=C1NC2=CC=CC=C2N1 D11101 [2,0,0,0,0,0|0,0,0]=2 77 B11R2.10 O=C1NC2=CC=CC=C2O1 B0351 [2,0,0,0,0,0|1,0,0]=3 78 B11R2.10 O=C1NC2=CC=CC=C2S1 B13424 [2,0,0,0,0,0|1,0,0]=3 79 B11R2.10 SC1=NC2=CC=CC=C2N1 M0641 [2,0,0,0,0,0|0,1,1]=4 80 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2115 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2912 [2,0,0,0,0,0|2,0,0]=4 82 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2912 [2,0,0,0,0,0|2,0,0]=4 83 B11R2.106 CC1=C2C=CNC2=CC=C1 M11871 [2,0,0,0,0,0|1,0,0]=3 84 B11R2.106 CC1=C2C=CNC2=CC=C1 M11871 [2,0,0,0,0,0|1,0,0]=3 85 B11R2.106 CC1=C2CCNC2=CC=C1 M11911 [2,0,0,0,0,0|1,0,1]=4 86 B11R2.106 CC1=C2N=CNC2=CC=C1 M13873 [2,0,0,0,0,0|0,0,1]=3 87 B11R2.106 CC1=C2NC=CC2=CC=C1 M11873 [2,0,0,0,0,0|1,0,0]=3 88 B11R2.106 CC1=C2NCCC2=CC=C1 M11913 [2,0,0,0,0,0|1,0,1]=4 89 B11R2.106 CC1=C2NN=CC2=CC=C1 M15328 [2,0,0,0,0,0|2,0,0]=4 90 B11R2.106 ClC1=CC=CC2=C1C=CN2 C11333 [2,0,0,0,0,0|2,0,0]=4 91 B11R2.106 ClC1=CC=CC2=C1NC=C2 C11743 [2,0,0,0,0,0|2,0,0]=4 92 B11R2.106 FC1=C2C=CNC2=CC=C1 F11863 [2,0,0,0,0,0|2,0,0]=4 93 B11R2.106 FC1=C2NC=CC2=CC=C1 F11875 [2,0,0,0,0,0|2,0,0]=4 94 B11R2.106 IC1=C2N=CNC2=CC=C1 I17384 [2,0,0,0,0,0|1,0,1]=4 95 B11R2.106 NC1=C2C=CNC2=CC=C1 A7242 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.106 NC1=C2NC=CC2=CC=C1 A18529 [2,0,0,0,0,0|2,0,0]=4 97 B11R2.106 OC1=CC=CC2=C1C=CN2 H1084 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.106 OC1=CC=CC2=C1N=CN2 B15785 [2,0,0,0,0,0|1,0,1]=4 99 B13R1.470 O=C(\C=N\O)NC1=C(Br)C=CC=C1 Q3132 [0,1,1,0,0,0|1,0,1]=4 100 B13R1.470 O=C(\C=N\O)NC1=CC=CC=C1F D2758 [0,1,1,0,0,0|1,0,1]=4 101 B13R1.4928 CC1=CC=CC(C)=C1NC(=S)NN D8823 [0,1,1,0,0,0|1,1,0]=4 102 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 M14941 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 M1112 [1,1,0,0,0,0|1,0,1]=4 104 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O C0230 [1,1,0,0,0,0|1,0,1]=4 105 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O B2802 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O F1111 [1,1,0,0,0,0|1,0,1]=4 107 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O I12042 [1,1,0,0,0,0|1,0,1]=4 108 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 M14431 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 B2240 [1,1,0,0,0,0|1,0,1]=4 110 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 B2240 [1,1,0,0,0,0|1,0,1]=4 111 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 C11063 [1,1,0,0,0,0|1,0,1]=4 112 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 F12061 [1,1,0,0,0,0|1,0,1]=4 113 B13R2.4856 O=C1NC2=CC=CC(I)=C2C1=O I12044 [1,1,0,0,0,0|1,0,1]=4 114 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O B2239 [1,1,0,0,0,0|1,0,1]=4 115 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O B2239 [1,1,0,0,0,0|1,0,1]=4 116 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O C4090 [1,1,0,0,0,0|1,0,1]=4 117 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O F2529 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O I12043 [1,1,0,0,0,0|1,0,1]=4 119 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O I12043 [1,1,0,0,0,0|1,0,1]=4 120 B13R2.9 C(=O)C1=CNC2=C(C)C=CC=C12 M11946 [1,1,0,0,0,0|1,0,1]=4 121 B13R2.9 CC1=CC=CC2=C1NC=C2C#N C14291 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.581 COC1=C2NC(=O)CC2=CC=C1 M12299 [1,1,0,0,0,0|1,0,0]=3 123 B13R2.581 N#CC1=CC=CC2=C1NC(=O)C2 C7461 [1,1,0,0,0,0|1,0,1]=4 124 B13R2.5397 O=C1CC2=C(C=C(F)C=C2F)N1 O6711 [1,1,0,0,0,0|2,0,0]=4 125 B15R2.20937 COC1=C2NC(=O)NC(=O)C2=CC=C1 M12088 [0,1,0,0,0,1|1,0,1]=4 126 B15R2.20937 COC1=C2NC(=O)OC(=O)C2=CC=C1 M19047 [0,1,0,0,0,1|1,0,1]=4 127 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,1,1,0,0|2,0,0]=4 128 B13R2.2091 C(=O)C1=CNC2=CC=CC(C)=C21 M11945 [0,0,1,1,0,0|2,0,0]=4 129 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 H1762 [1,0,0,0,0,1|2,0,0]=4 130 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 I16602 [1,0,0,0,0,1|1,0,1]=4