0 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 D72038 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 D72037 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 CC1=CNC2=NC=NC=C12 P14369 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [1,0,0,0,0,0|1,0,1]=3 17 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.10 NC1=NC2=NC=CC=C2N1 AC8085 [1,0,0,0,0,0|1,0,1]=3 25 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [1,0,0,0,0,0|1,0,0]=2 30 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.135 CC[C@@H]1C(=O)NC2=C1C=CC=C2 61576 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.135 CN[C@@H]1C(=O)NC2=C1C=CC=C2 71829 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N W10170 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)C=C2 91315 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 W10171 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.5190 CN1C(=O)NC2=C1C=NC(Cl)=N2 AC1580 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.5190 CN1C(=O)SC2=C1C=CC(N)=C2 W17105 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.5190 N[C@@H]1C(=O)NC2=C1C=CC(Cl)=C2 AT11006 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.5190 O=C1NC2=C(C=CC(Cl)=N2)C1=O C92860 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,0,1,0,0,0|2,1,0]=4 48 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,0,1,0,0,0|2,0,0]=3 49 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.32 CN1C(=O)CNC2=C1C=CC=N2 97249 [0,0,0,0,0,1|1,0,0]=2 51 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.328 CN1CC(=O)NC2=C1N=CC=C2 97250 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [0,0,0,0,0,1|3,0,0]=4 55 B13R2.328 O=C1CC2=C(C=CC=N2)C(=O)N1 52942 [0,0,0,0,0,1|2,0,1]=4 56 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 F15898 [0,0,0,0,0,1|2,0,1]=4 57 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,0,0,0,0,1|3,0,0]=4 58 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,0,0,0,0,1|3,0,0]=4 59 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,0,0,0,0,1|3,0,0]=4 61 B13R2.369 OC1=NC2=CC=CN=C2C=C1Br F30271 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.18 N=C(N)NC1=NC=CC=N1 C90570 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,0,1,0,0,0|1,0,1]=4 68 B10R1.20 N#CC1=CC=CN=C1C=O P10836 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,0,1,0,0,0|1,0,1]=4 71 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [2,0,0,0,0,0|1,0,1]=4 72 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.43 O=C(NC1=NC=CC=C1)C(Cl)Cl H11528 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.50 CCC(=O)NC1=NC=CC(Br)=C1 W12878 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.50 CNC(=O)NC1=NC=CC(F)=C1 96549 [0,1,1,0,0,0|1,0,0]=3 78 B12R2.1 NCC1=CNC2=NC=CC=C12 P11573 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.1 OCC1=CNC2=C1C=NC=N2 P14133 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.1 OCC1=NNC2=C1C=CC=N2 F18583 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.203 CC1=C2C(Br)=CNC2=NC=C1 I10822 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.203 CC1=C2C(Cl)=CNC2=NC=C1 57836 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.203 CC1=CNC2=NC=CC(N)=C12 P13299 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.203 CN1C=NC2=NC=CC(Cl)=C21 91609 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.203 ClC1=CNC2=NC=CC(Br)=C12 91272 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.203 NC1=CNC2=NC=CC(Br)=C12 91271 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.612 CC1=CNC2=C1C=CC(N)=N2 P14438 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.612 ClC1=CNC2=C1C=CC(Cl)=N2 91251 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.202 CC1=CC2=C(F)C=CN=C2N1 P11167 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.202 CC1=NC2=C(Br)C=CN=C2N1 C91543 [1,1,0,0,0,0|1,0,1]=4 93 B12R2.202 CC1=NC2=C(C)C=CN=C2N1 F18615 [1,1,0,0,0,0|1,0,1]=4 94 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.202 O=C1NC2=C(N1)C(Cl)=NC=N2 C90467 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [1,1,0,0,0,0|1,0,0]=3 99 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.202 O=C1NC2=CN=CC(Br)=C2N1 C14994 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 I10967 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.606 CC1=NC2=C(C=C1)N=C(N)N2 D73149 [1,1,0,0,0,0|1,0,1]=4 105 B12R2.606 CC1=NC2=CC(N)=CN=C2N1 C90371 [1,1,0,0,0,0|1,0,1]=4 106 B12R2.606 CC1=NC2=NC=C(Cl)C=C2N1 D78631 [1,1,0,0,0,0|1,0,1]=4 107 B12R2.606 ClC1=NC2=C(C=C1)NC(Br)=C2 57480 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [1,1,0,0,0,0|1,0,0]=3 109 B12R2.606 O=C1CC2=NC=C(I)C=C2N1 F18536 [1,1,0,0,0,0|1,0,0]=3 110 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.606 O=C1NC2=C(N=C(Br)C=N2)N1 27425 [1,1,0,0,0,0|1,0,0]=3 112 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 AC2140 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 AC3978 [1,1,0,0,0,0|1,0,0]=3 114 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 D78584 [1,1,0,0,0,0|1,1,0]=4 115 B12R2.606 S=C1NC2=CC(Br)=CN=C2N1 D74585 [1,1,0,0,0,0|0,1,0]=3 116 B12R2.606 S=C1NC2=CC(Cl)=CN=C2O1 AC3195 [1,1,0,0,0,0|1,1,0]=4 117 B14R2.8045 O=C1C=C(O)C2=CC=CC(Br)=C2N1 D73420 [0,1,0,0,0,1|2,0,0]=4 118 B14R2.8239 C[C@@H]1OC2=CC=C(N)N=C2NC1=O C90455 [0,1,0,0,0,1|2,0,0]=4 119 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)C=C1O 67213 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [0,1,0,0,0,1|2,0,0]=4 123 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.4220 O=C1NC2=C(Br)C=CC=C2\C1=N\O F12270 [0,2,0,0,0,0|2,0,0]=4 125 B14R2.4507 O=C1NC2=NC=C(Br)C=C2C1(Br)Br S12150 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.4507 O=C1NC2=NC=C(Br)C=C2C1(F)F P18397 [0,2,0,0,0,0|2,0,0]=4 127 B14R2.4646 O=C1NC2=C(C=CC(Cl)=N2)C1(Br)Br C92859 [0,2,0,0,0,0|2,0,0]=4 128 B14R2.57380 CN1C(=O)C(C)(C)C2=C1C=CC=N2 95782 [0,2,0,0,0,0|2,0,0]=4 129 B14R2.8716 CN1C(=O)C(=O)C2=CC(Br)=CN=C21 52215 [0,2,0,0,0,0|1,0,1]=4 130 B14R2.8716 CN1C(=O)N(C)C2=NC=C(Br)C=C21 S10291 [0,2,0,0,0,0|1,0,0]=3 131 B12R2.24 O=C1CSC2=C(N=CC=C2)N1 92244 [0,0,1,1,0,0|1,1,0]=4 132 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [0,0,1,1,0,0|1,0,1]=4 133 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [0,0,1,1,0,0|2,0,0]=4 134 B12R2.246 NC1=C2C=CN=C2NC(=O)N1 F12220 [0,0,0,0,1,1|2,0,0]=4 135 B12R2.246 O=C1C=C(O)C2=C(N1)SC=C2 O11244 [0,0,0,0,1,1|2,0,0]=4