0 B12R2.18 CC1=CC2=CC=CC=C2N1C D1672 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 M5858 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(=O)SC2=CC=CC=C21 M18425 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CN1C2=CC=CC=C2N=C1N M17400 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.18 O=C1NC2=CC=CC=C2C1=O I0531 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 ON1N=NC2=C1C=CC=C2 H19007 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.10 BrC1=NC2=CC=CC=C2N1 B14422 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.10 ClC1=NC2=CC=CC=C2N1 C3376 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 NC1=CC2=C(C=CC=C2)N1 A11341 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.10 NC1=NC2=C(C=CC=C2)N1 A3457 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 O=C1CC2=CN=CC=C2N1 A12570 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [1,0,0,0,0,0|1,0,0]=2 17 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [1,0,0,0,0,0|1,0,0]=2 18 B11R2.10 O=C1NC2=CC=CC=C2N1 D11101 [1,0,0,0,0,0|1,0,0]=2 19 B11R2.10 O=C1NC2=CC=CC=C2O1 B0351 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.10 O=C1NC2=CC=CC=C2S1 B13424 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.10 SC1=NC2=CC=CC=C2N1 M0641 [1,0,0,0,0,0|1,1,1]=4 22 B11R2.10 SC1=NC2=NC=CC=C2N1 I14841 [1,0,0,0,0,0|0,1,1]=3 23 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 M14941 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 M1112 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O C0230 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O B2802 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O F1111 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O I12042 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 M14431 [0,1,0,0,0,0|2,0,1]=4 30 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O B12062 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O C8256 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O F2550 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O I12041 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 B2240 [0,1,0,0,0,0|2,0,1]=4 35 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 B2240 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 C11063 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 F12061 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.4856 O=C1NC2=CC=CC(I)=C2C1=O I12044 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O B2239 [0,1,0,0,0,0|2,0,1]=4 40 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O B2239 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O C4090 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O F2529 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O I12043 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O I12043 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.40 N\C(CC1=NC=CC=C1)=N\O H13806 [0,0,1,0,0,0|2,0,1]=4 50 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,0,1,0,0,0|3,0,0]=4 51 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 H1762 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 I16602 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [1,0,1,0,0,0|1,0,0]=3 54 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [1,0,1,0,0,0|1,0,0]=3 59 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.4 CCNC1=NC=CC=C1N E16040 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.61 CC(=O)C1=CC=CN=C1N A7312 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.61 CC1=NC=CC=C1C(=O)O M17501 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.61 NC1=C(C(=O)O)C=NC=N1 A12837 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,0,1,0,0,0|1,0,0]=3 65 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,0,1,0,0,0|1,0,0]=3 66 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] A2329 [1,0,1,0,0,0|0,0,2]=4 67 B10R1.61 NC1=NC=CN=C1C(=O)O A2119 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 B9110 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.61 O=C(O)C1=CC=CN=C1Cl C4998 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 O=C(O)C1=CC=CN=C1F F11719 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.61 O=C(O)C1=CC=CN=C1O H2508 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.61 O=C(O)C1=CC=CN=C1S M5419 [1,0,1,0,0,0|2,0,0]=4 73 B10R2.7 C1=CN=C2C=CNC2=C1 A12523 [2,0,0,0,0,0|1,0,0]=3 74 B10R2.7 C1=CN=C2NC=CC2=C1 A1951 [2,0,0,0,0,0|1,0,0]=3 75 B10R2.7 C1=CN=C2NC=CC2=C1 A1951 [2,0,0,0,0,0|1,0,0]=3 76 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [2,0,0,0,0,0|1,0,1]=4 77 B12R1.43 CN(C)C(=O)OC1=NC=CC=C1 D13986 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,1,1,0,0,0|1,0,0]=3 79 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4944 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M19383 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C12293 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F12294 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.202 O=C1CC2=C(O)C=CC=C2N1 H3671 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F11057 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 H1623 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 A0178 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 A0178 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 A5322 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9528 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C7755 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 H14834 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 F11056 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 H14906 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 C1739 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 C5390 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.606 O=C1NC2=CC=C(Cl)C=C2O1 C1063 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 O=C1NC2=CC=C(Cl)C=C2O1 C1063 [1,1,0,0,0,0|2,0,0]=4